| SpectraBase Spectrum ID |
GVVHX1fPB5s |
| Name |
4-Nitrobenzaldehyde |
| CAS Registry Number |
555-16-8 |
| 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/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H |
| InChIKey |
BXRFQSNOROATLV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
151.121 g/mol |
| Nominal Mass |
151 u |
| Quality |
987 |
| Retention Index |
1291 |
| SMILES |
C=1(C=O)C=CC([N+](=O)[O-])=CC1 |
| SPLASH |
splash10-0udi-9700000000-6b95288a5b02c2517376 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003235 |
