Phenyl 1,4-dihydroxy-2-naphthoate(54978-55-1) 1H NMR
Product NamePhenyl 1,4-dihydroxy-2-naphthoate
CAS54978-55-1
Molecular FormulaC17H12O4
Molecular Weight280.27
InChIInChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H
InChIKey XDUXGEPGVNWEBQ-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC=C2)=C(O)C=C1C(OC1=CC=CC=C1)=O
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MassMS-IW-6663 phenyl 1,4-dihydroxy-2-naphthoate C17H12O4 (Mass of molecular ion: 280)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.7 18.0 8.6 39.0 3.9 40.0 1.7 47.0 1.1 50.0 1.5 51.0 3.1 53.0 1.6 55.0 1.6 63.0 1.6 65.0 4.7 66.0 5.2 75.0 1.9 76.0 2.8 77.0 7.5 94.0 33.1 95.0 2.3 101.0 2.3 102.0 10.5 103.0 8.0 104.0 1.1 105.0 4.8 129.0 1.6 130.0 11.6 131.0 10.5 132.0 1.0 157.0 2.4 158.0 8.2 159.0 8.2 185.0 2.8 186.0 100.0 187.0 99.1 188.0 12.1 189.0 1.2 279.0 1.3 280.0 72.4 281.0 13.7 282.0 1.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C17 H12 O4 0.039 g : 0.5 ml DMSO-d6 phenyl 1,4-dihydroxy-2-naphthoate 
Assign. Shift(ppm)
A *1 11.6 B *1 10.0 C 8.322 D 8.203 E 7.739 F 7.655 G 7.525 J 7.38 K 7.37 L 7.344
Hz ppm Int.4420.91 11.062 1000 4004.94 10.022 633 3330.33 8.334 225 3322.64 8.314 241 3322.09 8.313 230 3282.89 8.215 222 3274.83 8.195 248 3101.74 7.762 117 3100.46 7.758 128 3094.78 7.744 190 3093.50 7.741 252 3092.03 7.737 135 3086.54 7.724 172 3085.07 7.720 167 3067.12 7.675 159 3065.84 7.672 169 3060.35 7.658 131 3058.88 7.654 238 3057.60 7.651 174 3051.92 7.637 113 3050.82 7.634 109 3016.02 7.547 218 3014.19 7.543 98 3011.44 7.536 59 3009.24 7.530 339 3008.33 7.528 311 3007.41 7.526 432 3002.83 7.514 120 3000.45 7.508 407 2998.25 7.503 66 2954.48 7.393 769 2952.09 7.387 196 2946.78 7.374 666 2943.12 7.365 64 2940.01 7.357 100 2938.91 7.354 150 2937.81 7.351 104 2935.24 7.345 944
in DMSO-d6
KBr disc
nujol mull
