| SpectraBase Spectrum ID |
DqvK4Q1vpBr |
| Name |
Benperidol-M |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.058657691 u |
| Formula |
C10H9FO2 |
| InChI |
InChI=1S/C10H9FO2/c11-9-4-1-3-8(7-9)10(13)5-2-6-12/h1,3-4,6-7H,2,5H2 |
| InChIKey |
PNMXKIUDGIXGHS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.178 g/mol |
| Nominal Mass |
180 u |
| Quality |
842 |
| Retention Index |
1296 |
| SMILES |
C1(C(CCC=O)=O)=CC(=CC=C1)F |
| SPLASH |
splash10-0adr-6900000000-ff123ae952908333caeb |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(3-fluorophenyl)-4-oxobutanal |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013661 |
