| SpectraBase Spectrum ID |
2mQTdd60ptY |
| Name |
(E) 1-Phenyl-2-nitroprop-1-ene |
| CAS Registry Number |
705-60-2 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
163.063328532 u |
| Formula |
C9H9NO2 |
| InChI |
InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
| InChIKey |
WGSVFWFSJDAYBM-BQYQJAHWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.176 g/mol |
| Nominal Mass |
163 u |
| Quality |
991 |
| Retention Index |
1459 |
| SMILES |
C=1(\C=C/([N+](=O)[O-])C)C=CC=CC1 |
| SPLASH |
splash10-014i-6900000000-8b0e5fce84d6e4b3ea9e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trans-beta-Methyl-beta-nitrostyrene
((1E)-2-nitroprop-1-en-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020171 |
