Naphthalene(91-20-3) Raman
Product NameNaphthalene
CAS91-20-3
Molecular FormulaC10H8
Molecular Weight128.17
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey UFWIBTONFRDIAS-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1
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MassMS-NW-1434 naphthalene C10H8 (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
39.0 1.4 50.0 2.8 51.0 7.2 62.0 1.3 63.0 4.6 64.0 6.8 74.0 2.7 75.0 3.2 76.0 2.4 77.0 3.4 78.0 2.3 101.0 2.1 102.0 6.1 126.0 5.2 127.0 10.8 128.0 100.0 129.0 11.0
400 MHz in CDCl3
parameter in acetone-d6
parameter CS2
90 MHz in CDCl3
parameter in CCl4
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1H NMR 399.65 MHz C10 H8 10.5 mg : 0.5 ml CDCl3 naphthalene 
Assign. Shift(ppm)
A 7.841 B 7.475
Hz ppm Int.3142.58 7.864 52 3141.36 7.861 88 3138.55 7.854 796 3136.84 7.849 105 3135.25 7.845 549 3132.45 7.838 580 3130.49 7.834 130 3129.03 7.830 831 3126.10 7.823 88 3125.00 7.820 64 2995.61 7.496 92 2994.75 7.494 99 2991.94 7.487 1000 2988.53 7.478 589 2985.60 7.471 597 2984.25 7.468 86 2982.42 7.463 864 2980.71 7.459 51 2979.37 7.455 68 2978.76 7.454 64
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1H NMR 300 MHz C10 H8 1 M in acetone-d6 naphthalene Parameter ppm Hz
D(A) 7.854 D(B) 7.461 J(A,A') 0.75 J(A,A'') 0.85 J(A,A''') -0.47 J(A,B) 8.32 J(A,B') 1.24 J(A,B'') -0.14 J(A,B''') 0.22 J(A',A'') -0.47 J(A',A''') 0.85 J(A',B) 1.24 J(A',B') 8.32 J(A',B'') 0.22 J(A',B''') -0.14 J(A'',A''') 0.75 J(A'',B) -0.14 J(A'',B') 0.22 J(A'',B'') 8.32 J(A'',B''') 1.24 J(A''',B) 0.22 J(A''',B') -0.14 J(A''',B'') 1.24 J(A''',B''') 8.32 J(B,B') 6.84 J(B,B'') 0.28 J(B,B''') 0.12 J(B',B'') 0.12 J(B',B''') 0.28 J(B'',B''') 6.84 CASSIDEI,L. & SCIACOVELLI,O. ORG.MAGN.RESON. 15, 257 (1981)
Hz ppm Int.2363.94 7.880 94 2361.14 7.870 806 2357.82 7.859 688 2354.92 7.850 715 2351.57 7.839 916 2348.55 7.828 120 2246.13 7.487 118 2242.96 7.477 1000 2239.60 7.465 732 2236.62 7.455 737 2233.35 7.444 869 2230.34 7.434 89
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1H NMR 300 MHz C10 H8 5 wt% in CS2 naphthalene Parameter ppm Hz
D(A) 7.685 D(B) 7.338 J(A,A') 0.74 J(A,A'') 0.85 J(A,A''') -0.45 J(A,B) 8.28 J(A,B') 1.24 J(A,B'') -0.10 J(A,B''') 0.23 J(A',A'') -0.45 J(A',A''') 0.85 J(A',B) 1.24 J(A',B') 8.28 J(A',B'') 0.23 J(A',B''') -0.10 J(A'',A''') 0.74 J(A'',B) -0.10 J(A'',B') 0.23 J(A'',B'') 8.28 J(A'',B''') 1.24 J(A''',B) 0.23 J(A''',B') -0.10 J(A''',B'') 1.24 J(A''',B''') 8.28 J(B,B') 6.85 J(B,B'') 0.25 J(B,B''') 0.10 J(B',B'') 0.10 J(B',B''') 0.25 J(B'',B''') 6.85 CRECELY,R.W. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 2, 613 (1970)
Hz ppm Int.2313.21 7.711 90 2310.46 7.702 779 2307.12 7.690 677 2304.26 7.681 710 2300.89 7.670 901 2297.88 7.660 118 2209.22 7.364 119 2206.03 7.353 1000 2202.67 7.342 733 2199.71 7.332 738 2196.45 7.321 852 2193.42 7.311 86
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1H NMR 89.56 MHz C10 H8 0.045 g : 0.5 ml CDCl3 naphthalene Assign. Shift(ppm)
A 7.807 B 7.448
Hz ppm Int.708.56 7.912 53 707.56 7.901 74 704.81 7.870 577 701.50 7.833 562 698.63 7.801 574 695.25 7.763 895 692.06 7.728 193 689.06 7.694 30 678.56 7.577 28 678.06 7.572 27 677.75 7.568 28 676.63 7.556 31 674.31 7.530 184 671.00 7.493 1000 667.44 7.453 606 664.69 7.422 619 661.44 7.386 632 658.88 7.357 77 658.75 7.356 77 657.88 7.346 68
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1H NMR 300 MHz C10 H8 0.8 M in CCl4 naphthalene Parameter ppm Hz
D(A) 7.671 D(B) 7.316 J(A,A') 0.74 J(A,A'') 0.85 J(A,A''') -0.44 J(A,B) 8.28 J(A,B') 1.25 J(A,B'') -0.15 J(A,B''') 0.23 J(A',A'') -0.44 J(A',A''') 0.85 J(A',B) 1.25 J(A',B') 8.28 J(A',B'') 0.23 J(A',B''') -0.15 J(A'',A''') 0.74 J(A'',B) -0.15 J(A'',B') 0.23 J(A'',B'') 8.28 J(A'',B''') 1.25 J(A''',B) 0.28 J(A''',B') -0.15 J(A''',B'') 1.25 J(A''',B''') 8.28 J(B,B') 6.82 J(B,B'') 0.29 J(B,B''') 0.10 J(B',B'') 0.10 J(B',B''') 0.29 J(B'',B''') 6.82 CASSIDEI,L. & SCIACOVELLI,O. ORG.MAGN.RESON. 15, 257 (1981)
Hz ppm Int.2309.00 7.697 86 2306.24 7.687 787 2302.91 7.676 670 2300.06 7.667 701 2296.70 7.656 907 2293.72 7.646 116 2202.60 7.342 115 2199.43 7.331 1000 2196.07 7.320 718 2193.11 7.310 723 2189.86 7.300 854 2186.87 7.290 82
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
ANION RADICAL, REDUCTION WITH RB IN THF
ANION RADICAL, REDUCTION WITH ALKALI-METAL
ANION RADICAL, RED. WITH (CH3)3SIK IN N-HEXANE
