| SpectraBase Spectrum ID |
DnFF9qynS4W |
| Name |
1-(4-Chlorophenyl)-2-nitroprop-1-ene |
| CAS Registry Number |
37629-52-0 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.024356200 u |
| Formula |
C9H8ClNO2 |
| InChI |
InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6- |
| InChIKey |
ABSQKQKOEFDZTI-SREVYHEPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
197.621 g/mol |
| Nominal Mass |
197 u |
| Quality |
1000 |
| Retention Index |
1437 |
| SMILES |
C=1(\C=C\([N+](=O)[O-])C)C=CC(=CC1)Cl |
| SPLASH |
splash10-014i-3900000000-0e5edc4de619c3193965 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Chloro-beta-methyl-beta-nitrostyrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024359 |
