2,6-Naphthalenediol (581-43-1) 13C NMR
Product Name2,6-Naphthalenediol
CAS581-43-1
Molecular FormulaC10H8O2
Molecular Weight160.17
InChIInChI=1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
InChIKey MNZMMCVIXORAQL-UHFFFAOYSA-N
SmilesC1=C2C(C=C(O)C=C2)=CC=C1O
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MassMS-NW-6350 2,6-naphthalenediol C10H8O2 2H2O (Mass of molecular ion: 160)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.2 28.0 1.3 39.0 1.2 50.0 2.1 51.0 4.9 52.0 1.0 62.0 1.1 63.0 1.7 65.5 1.4 74.0 1.3 75.0 1.6 76.0 1.5 77.0 7.5 78.0 1.4 80.0 4.9 102.0 3.1 103.0 6.4 104.0 2.4 115.0 2.4 131.0 23.0 132.0 5.9 144.0 2.1 159.0 2.3 160.0 100.0 161.0 10.5 162.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H8 O2 0.039 g : 0.5 ml DMSO-d6 2,6-naphthalenediol 
Assign. Shift(ppm)
A 9.36 B 7.546 C 7.055 D 7.018
Hz ppm Int.3738.71 9.355 429 3020.48 7.558 773 3011.78 7.537 831 2820.89 7.059 848 2818.45 7.053 1000 2809.91 7.031 595 2807.62 7.026 427 2801.21 7.010 518 2798.92 7.004 410
in DMSO-d6
KBr disc
nujol mull
