| SpectraBase Spectrum ID |
GW5Dg2C0vRI |
| Name |
Efavirenz |
| CAS Registry Number |
154598-52-4 |
| Classification |
Pharmaceutical drug, antiviral |
| 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 |
315.027390721 u |
| Formula |
C14H9ClF3NO2 |
| InChI |
InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
| InChIKey |
XPOQHMRABVBWPR-ZDUSSCGKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
315.679 g/mol |
| Nominal Mass |
315 u |
| Quality |
961 |
| Retention Index |
2346 |
| SMILES |
[C@@]1(C=2C(NC(O1)=O)=CC=C(C2)Cl)(C(F)(F)F)C#CC1CC1 |
| SPLASH |
splash10-0002-3891000000-aee4af8c87de825bc7cd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Stocrin
Sustiva
(S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022309 |
