| SpectraBase Spectrum ID |
2nylTuIaZmK |
| Name |
Cetilistat |
| Classification |
Pharmaceutical drug, pancreatic lipase inhibitor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.292994117 u |
| Formula |
C25H39NO3 |
| InChI |
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3 |
| InChIKey |
MVCQKIKWYUURMU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.591 g/mol |
| Nominal Mass |
401 u |
| Quality |
990 |
| Retention Index |
2982 |
| SMILES |
C=12C(N=C(OC2=O)OCCCCCCCCCCCCCCCC)=CC=C(C1)C |
| SPLASH |
splash10-01t9-3900000000-b8b72997a68ce3bce953 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ATL-962
2-Hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027863 |
