| SpectraBase Spectrum ID |
JJPrPEULZ56 |
| Name |
Clomipramine-M (Ring -OH) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
287.071306393 u |
| Formula |
C16H14ClNO2 |
| InChI |
InChI=1S/C16H14ClNO2/c1-10(19)18-15-7-6-14(20)8-12(15)3-2-11-4-5-13(17)9-16(11)18/h4-9,20H,2-3H2,1H3 |
| InChIKey |
HNSBFPQMGUHZOW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
287.746 g/mol |
| Nominal Mass |
287 u |
| Quality |
885 |
| Retention Index |
2183 |
| SMILES |
OC=1C=C2C(N(C3=C(CC2)C=CC(=C3)Cl)C(=O)C)=CC1 |
| SPLASH |
splash10-0002-1290000000-0ca77d5bdf83ebfeffdb |
| Sample Comments |
Acetyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(7-chloro-2-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006283 |
