2,3-BIS(HYDROXYMETHYL)NAPHTHALENE(31554-15-1) MS
Product Name2,3-BIS(HYDROXYMETHYL)NAPHTHALENE
CAS31554-15-1
Molecular FormulaC12H12O2
Molecular Weight188.22
InChIInChI=1S/C12H12O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2
InChIKey DTYJRRQQOLBRGH-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC(CO)=C1CO
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MassMS-IW-4938 2,3-naphthalenedimethanol C12H12O2 (Mass of molecular ion: 188)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.2 31.0 1.1 39.0 2.2 50.0 1.5 51.0 3.7 57.5 4.7 62.0 1.6 63.0 5.5 64.0 1.3 65.0 1.4 69.0 2.3 69.5 3.9 70.0 4.3 70.5 5.7 71.0 2.7 72.0 1.3 74.0 1.9 75.0 3.0 76.0 2.9 77.0 4.1 84.0 3.1 84.5 4.9 85.0 7.3 86.0 1.0 87.0 1.7 89.0 3.1 91.0 1.8 101.0 1.5 102.0 2.2 113.0 1.7 114.0 1.4 115.0 25.8 116.0 2.8 126.0 3.2 127.0 12.2 128.0 22.7 129.0 20.8 130.0 2.2 139.0 14.7 140.0 7.1 141.0 96.0 142.0 36.8 143.0 6.2 144.0 1.0 152.0 1.7 153.0 1.5 154.0 2.8 155.0 2.5 157.0 4.5 168.0 1.9 169.0 63.1 170.0 100.0 171.0 14.2 172.0 3.0 188.0 53.3 189.0 7.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H12 O2 0.041 g : 0.5 ml DMSO-d6 2,3-naphthalenedimethanol 
Assign. Shift(ppm)
A 7.900 B 7.879 C 7.456 D 5.28 E 4.726 J(D,E)=5.6HZ
Hz ppm Int.3157.47 7.901 968 3153.56 7.891 367 3150.27 7.883 317 3147.46 7.876 333 3144.04 7.867 376 3141.24 7.860 69 2988.16 7.477 67 2984.74 7.469 485 2981.45 7.461 389 2978.52 7.453 383 2975.22 7.445 466 2971.68 7.436 57 2114.87 5.292 397 2109.38 5.279 907 2103.88 5.265 433 1891.48 4.733 1000 1886.11 4.720 942 1877.32 4.698 22 1876.46 4.696 23
in DMSO-d6
KBr disc
nujol mull
