SpectraBase Spectrum ID |
8FUCzxyp1Wq |
Name |
o-Nitrobenzaldehyde |
CAS Registry Number |
552-89-6 |
Classification |
Designer drug precursor |
Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
151.026943022 u |
Formula |
C7H5NO3 |
InChI |
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H |
InChIKey |
CMWKITSNTDAEDT-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
151.121 g/mol |
Nominal Mass |
151 u |
Quality |
990 |
Retention Index |
1281 |
SMILES |
C1(=C(C=CC=C1)C=O)[N+](=O)[O-] |
SPLASH |
splash10-0g6u-9300000000-0b983f16c30ebad1ecda |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-Nitrobenzaldehyde |
Technique |
GC/MS |
Wiley ID |
DD2024_004319 |