| SpectraBase Spectrum ID |
2ltKNqaGmTw |
| Name |
1-(4-Nitrophenyl)-2-nitropropene |
| CAS Registry Number |
4231-16-7 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.048406742 u |
| Formula |
C9H8N2O4 |
| InChI |
InChI=1S/C9H8N2O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3/b7-6- |
| InChIKey |
KSKLHQQKAFMWSA-SREVYHEPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.173 g/mol |
| Nominal Mass |
208 u |
| Quality |
994 |
| Retention Index |
1627 |
| SMILES |
C=1(\C=C\([N+](=O)[O-])C)C=CC(=CC1)[N+](=O)[O-] |
| SPLASH |
splash10-014i-4900000000-1f9216637d2b378962d7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-nitro-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001106 |
