| SpectraBase Spectrum ID |
8Fu8vBjMbcu |
| Name |
Citalopram-M (Desamino,COOH) ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
325.111421539 u |
| Formula |
C19H16FNO3 |
| InChI |
InChI=1S/C19H16FNO3/c1-23-18(22)8-9-19(15-3-5-16(20)6-4-15)17-7-2-13(11-21)10-14(17)12-24-19/h2-7,10H,8-9,12H2,1H3 |
| InChIKey |
JXOZXWJZSORQNX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
325.339 g/mol |
| Nominal Mass |
325 u |
| Quality |
790 |
| Retention Index |
2464 |
| SMILES |
C1(C=2C(=CC(=CC2)C#N)CO1)(C=1C=CC(=CC1)F)CCC(OC)=O |
| SPLASH |
splash10-000i-0190000000-22b341aa39ca8c7f532b |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000718 |
