SpectraBase Spectrum ID |
5XOQ46nBUps |
Name |
o-Nitrophenol |
CAS Registry Number |
88-75-5 |
Classification |
Pharmaceutical and armaments industry precursor |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
139.026943022 u |
Formula |
C6H5NO3 |
InChI |
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H |
InChIKey |
IQUPABOKLQSFBK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
139.110 g/mol |
Nominal Mass |
139 u |
Quality |
798 |
Retention Index |
1140 |
SMILES |
OC1=C([N+](=O)[O-])C=CC=C1 |
SPLASH |
splash10-00kr-9800000000-4169caf7cf53d9491b2d |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-Nitrophenol |
Technique |
GC/MS |
Wiley ID |
DD2024_004864 |