| SpectraBase Spectrum ID |
8HR3DVP7sGG |
| 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 |
999 |
| Retention Index |
1398 |
| SMILES |
OCC1=C([N+](=O)[O-])C=CC=C1 |
| SPLASH |
splash10-004i-9100000000-037b29964cb297e97c46 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-Nitrophenyl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024041 |
