| SpectraBase Spectrum ID |
IwdFWA6HAMK |
| Name |
1-(4-Nitrophenyl)but-1-en-3-one |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.058243151 u |
| Formula |
C10H9NO3 |
| InChI |
InChI=1S/C10H9NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2-7H,1H3/b3-2- |
| InChIKey |
KMCRQJMZUHNLKJ-IHWYPQMZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
191.186 g/mol |
| Nominal Mass |
191 u |
| Quality |
991 |
| Retention Index |
1447 |
| SMILES |
C=1(C=CC(=CC1)\C=C/C(=O)C)[N+](=O)[O-] |
| SPLASH |
splash10-002f-3900000000-ed0f28821ca37a2a9983 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acenocoumarol-A
4-(4-nitrophenyl)but-3-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003248 |
