| SpectraBase Spectrum ID |
L9oJq36IbAO |
| Name |
Olanzapine |
| CAS Registry Number |
132539-06-1 |
| Classification |
Pharmaceutical drug, antipsychotic |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
312.140867834 u |
| Formula |
C17H20N4S |
| InChI |
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 |
| InChIKey |
KVWDHTXUZHCGIO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.435 g/mol |
| Nominal Mass |
312 u |
| Quality |
951 |
| Retention Index |
2646 |
| SMILES |
C=12C(N3CCN(CC3)C)=NC=3C(NC1SC(=C2)C)=CC=CC3 |
| SPLASH |
splash10-01r6-2290000000-4224de9cab4cbd6e4daa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methyl-4-(4-methyl-1-piperazineyl)-10H-thieno(2,3-b)(1,5)benzodiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003383 |
