4-Chloro-1-naphthol(604-44-4) IR1
Product Name4-Chloro-1-naphthol
CAS604-44-4
Molecular FormulaC10H7ClO
Molecular Weight178.62
InChIInChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey LVSPDZAGCBEQAV-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC=C2)=C(Cl)C=C1
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MassMS-NW-1998 4-chloro-1-naphthol C10H7ClO (Mass of molecular ion: 178)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.1 39.0 2.1 50.0 1.6 51.0 1.4 57.0 7.7 57.5 3.5 61.0 1.2 62.0 2.8 63.0 5.4 65.0 1.7 73.0 1.0 74.0 2.3 75.0 3.9 76.0 1.1 86.0 1.6 87.0 2.8 88.0 2.5 89.0 5.6 90.0 1.0 113.0 4.3 114.0 6.8 115.0 75.7 116.0 7.9 143.0 4.3 144.0 1.9 149.0 8.4 150.0 2.4 151.0 2.8 177.0 1.3 178.0 100.0 179.0 11.3 180.0 32.0 181.0 3.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H7 Cl O 0.044 g : 0.5 ml CDCl3 4-chloro-1-naphthol 
Assign. Shift(ppm)
A 8.36 to 8.03 B *1 7.61 C *1 7.53 D 7.351 E 6.692 F 5.31
Hz ppm Int.743.06 8.297 41 739.81 8.261 167 739.13 8.253 335 738.25 8.244 338 737.31 8.233 361 736.25 8.221 379 733.69 8.193 430 731.13 8.164 330 730.56 8.158 375 729.44 8.145 550 728.44 8.134 526 727.75 8.126 232 726.81 8.116 124 724.75 8.093 80 689.94 7.704 82 687.94 7.682 158 684.50 7.643 32 683.06 7.627 484 680.56 7.599 558 678.50 7.576 68 676.94 7.559 816 673.00 7.515 530 670.94 7.492 356 669.25 7.473 39 668.88 7.469 36 667.38 7.452 34 665.75 7.434 101 664.06 7.415 91 662.94 7.403 772 660.31 7.373 34 659.69 7.366 30 659.50 7.364 30 657.19 7.338 30 654.88 7.313 1000 602.88 6.732 964 600.13 6.701 36 594.81 6.642 748 475.31 5.308 707 470.69 5.256 36
in CDCl3
KBr disc
