1,4-Dihydroxy-2-naphthoic acid(31519-22-9) 1H NMR
Product Name1,4-Dihydroxy-2-naphthoic acid
CAS31519-22-9
Molecular FormulaC11H8O4
Molecular Weight204.18
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey VOJUXHHACRXLTD-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC=C2)=C(O)C=C1C(O)=O
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MassMS-IW-6662 1,4-dihydroxy-2-naphthoic acid C11H8O4 (Mass of molecular ion: 204)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.6 18.0 9.2 27.0 1.0 28.0 3.6 38.0 1.6 39.0 1.3 44.0 24.9 50.0 5.8 51.0 10.6 51.5 1.0 52.0 4.9 53.0 2.9 55.0 1.0 62.0 1.0 63.0 2.0 65.0 1.7 65.5 1.9 66.0 21.0 66.5 1.9 74.0 3.4 75.0 5.3 76.0 13.4 77.0 10.4 78.0 1.7 79.0 1.7 80.0 2.5 93.0 4.1 101.0 5.7 102.0 33.5 103.0 8.6 104.0 18.1 105.0 12.0 106.0 1.0 115.0 1.3 129.0 3.5 130.0 42.5 131.0 21.5 132.0 9.0 133.0 1.2 157.0 4.1 158.0 31.1 159.0 7.8 160.0 60.4 161.0 6.7 185.0 3.4 186.0 100.0 187.0 12.7 188.0 1.5 204.0 51.1 205.0 6.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H8 O4 0.036 g : 0.5 ml DMSO-d6 1,4-dihydroxy-2-naphthoic acid 
Assign. Shift(ppm)
A 13. B 12.1 C 9.82 D 8.285 E 8.161 F 7.687 G 7.615 J 7.161
Hz ppm Int.3924.32 9.820 48 3315.43 8.296 241 3307.37 8.276 258 3266.11 8.173 241 3258.06 8.153 269 3081.05 7.710 124 3079.83 7.707 133 3074.22 7.693 204 3072.75 7.689 263 3071.53 7.686 136 3065.92 7.672 189 3064.45 7.668 176 3051.03 7.635 175 3049.56 7.631 189 3043.95 7.617 138 3042.72 7.614 254 3041.26 7.610 185 3035.64 7.596 117 3034.42 7.593 114 2862.30 7.163 1000
in DMSO-d6
KBr disc
nujol mull
