| SpectraBase Spectrum ID |
4xjdyLx6ye |
| Name |
Oseltamivir |
| CAS Registry Number |
196618-13-0 |
| Classification |
Pharmaceutical drug, antiviral, neuraminidase inhibitor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.204907386 u |
| Formula |
C16H28N2O4 |
| InChI |
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 |
| InChIKey |
VSZGPKBBMSAYNT-RRFJBIMHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.410 g/mol |
| Nominal Mass |
312 u |
| Quality |
862 |
| Retention Index |
2395 |
| SMILES |
N[C@@]1([C@]([C@@](C=C(C1)C(OCC)=O)(OC(CC)CC)[H])(NC(=O)C)[H])[H] |
| SPLASH |
splash10-0gi0-3910000000-1406dd00aa1317aea0b5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene, carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013726 |
