1,7-Dihydroxynaphthalene(575-38-2) IR2
Product Name1,7-Dihydroxynaphthalene
CAS575-38-2
Molecular FormulaC10H8O2
Molecular Weight160.17
InChIInChI=1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H
InChIKey ZUVBIBLYOCVYJU-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC(O)=C2)=CC=C1
-
MassMS-NW-0130 1,7-naphthalenediol C10H8O2 (Mass of molecular ion: 160)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
38.0 1.0 39.0 2.0 50.0 2.9 51.0 7.5 52.0 1.7 53.0 1.4 62.0 1.9 63.0 3.3 65.0 1.5 65.5 2.4 66.0 2.3 74.0 2.5 75.0 2.6 76.0 2.7 77.0 11.7 78.0 2.5 80.0 5.3 87.0 1.1 101.0 1.0 102.0 5.4 103.0 11.0 104.0 4.7 105.0 1.3 113.0 1.3 114.0 1.6 115.0 3.8 131.0 46.4 132.0 17.0 133.0 1.6 159.0 4.3 160.0 100.0 161.0 11.2 162.0 1.0
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H8 O2 0.035 g : 0.5 ml DMSO-d6 1,7-naphthalenediol 
Assign. Shift(ppm)
A *1 9.80 B *1 9.60 C 7.659 D 7.407 E 7.217 F 7.06 G 7.05 J 6.791
Hz ppm Int.3916.47 9.800 1000 3835.14 9.597 986 3065.80 7.672 447 3056.95 7.650 483 2961.43 7.411 452 2959.14 7.405 523 2888.79 7.229 322 2880.71 7.209 413 2833.40 7.090 25 2829.90 7.081 287 2823.94 7.067 337 2821.96 7.062 758 2814.64 7.043 427 2813.11 7.039 412 2717.74 6.801 430 2710.27 6.782 381
KBr disc
nujol mull
