| SpectraBase Spectrum ID |
8Hwwo1tWN3Q |
| Name |
Orlistat-A (-N-Formylleucine) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
336.302830526 u |
| Formula |
C22H40O2 |
| InChI |
InChI=1S/C22H40O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-20(22(23)24-21)18-16-8-6-4-2/h17,19-21H,3-16,18H2,1-2H3/b19-17-/t20-,21-/m0/s1 |
| InChIKey |
QYYFTJDMNCWLAH-HVVASGKMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.560 g/mol |
| Nominal Mass |
336 u |
| Quality |
963 |
| Retention Index |
2447 |
| SMILES |
[C@]1([C@@](C(O1)=O)(CCCCCC)[H])(\C=C/CCCCCCCCCCC)[H] |
| SPLASH |
splash10-0a4i-6900000000-0ae08b917704bacddc04 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3S,4S)-3-hexyl-4-((1Z)-tridec-1-en-1-yl)oxetan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003405 |
