SpectraBase Spectrum ID |
8Jk1F4EEjTM |
Name |
2-Nitrobenzylalcohol |
CAS Registry Number |
612-25-9 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
153.042593086 u |
Formula |
C7H7NO3 |
InChI |
InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2 |
InChIKey |
BWRBVBFLFQKBPT-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
153.137 g/mol |
Nominal Mass |
153 u |
Quality |
988 |
Retention Index |
1398 |
SMILES |
OCC1=C([N+](=O)[O-])C=CC=C1 |
SPLASH |
splash10-004i-9000000000-6bae729cc63b1365c78f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(2-Nitrophenyl)methanol |
Technique |
GC/MS |
Wiley ID |
DD2024_003239 |