Methyl naphthalene-1-acetate(2876-78-0) Raman
Product NameMethyl naphthalene-1-acetate
CAS2876-78-0
Molecular FormulaC13H12O2
Molecular Weight200.23
InChIInChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKey YGGXZTQSGNFKPJ-UHFFFAOYSA-N
SmilesC1(CC(OC)=O)=C2C(C=CC=C2)=CC=C1
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MassMS-NW-5866 methyl 1-naphthylacetate C13H12O2 (Mass of molecular ion: 200)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 39.0 2.0 50.0 1.0 51.0 1.4 57.5 2.6 59.0 1.4 62.0 1.4 63.0 3.1 65.0 1.1 69.5 1.1 70.5 2.9 74.0 1.0 75.0 1.1 87.0 1.0 89.0 1.9 113.0 1.1 115.0 16.1 116.0 1.7 128.0 1.0 139.0 7.4 140.0 3.0 141.0 100.0 142.0 11.6 200.0 45.6 201.0 6.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 O2 0.05 ml : 0.5 ml CDCl3 methyl 1-naphthylacetate 
Assign. Shift(ppm)
A 7.949 B 7.790 C 7.722 D 7.473 E 7.426 F 7.36 G 7.34 J 4.002 K 3.590 ASSIGNED BY C-H COSY
Hz ppm Int.3181.64 7.962 97 3180.91 7.960 106 3173.34 7.941 109 3172.49 7.939 110 3118.41 7.803 96 3117.68 7.802 94 3117.07 7.800 85 3110.47 7.783 115 3109.01 7.780 105 3090.94 7.735 75 3088.99 7.730 77 3083.62 7.716 74 3081.67 7.711 83 2996.09 7.497 55 2994.63 7.494 60 2989.26 7.480 106 2987.79 7.477 127 2986.21 7.473 55 2980.96 7.459 105 2979.37 7.455 92 2974.73 7.444 102 2973.39 7.440 107 2967.90 7.427 66 2966.55 7.423 124 2965.45 7.421 96 2959.84 7.407 55 2958.62 7.404 50 2950.32 7.383 67 2943.24 7.365 200 2936.04 7.347 291 2934.94 7.344 211 2930.05 7.332 49 1599.37 4.002 575 1434.81 3.591 1000
in CDCl3
liquid film
4880 A,200 M,liquid
