| SpectraBase Spectrum ID |
AYEmJdykWlX |
| Name |
Efavirenz-A (-CO2) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
271.037561483 u |
| Formula |
C13H9ClF3N |
| InChI |
InChI=1S/C13H9ClF3N/c14-9-3-4-11-10(7-9)12(18-11,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,18H,1-2H2/t12-/m0/s1 |
| InChIKey |
PUSOLXWHCNPCJT-LBPRGKRZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
271.670 g/mol |
| Nominal Mass |
271 u |
| Quality |
825 |
| Retention Index |
2041 |
| SMILES |
[C@@]1(C=2C(N1)=CC=C(C2)Cl)(C(F)(F)F)C#CC1CC1 |
| SPLASH |
splash10-00di-1490000000-f7a84cd0f8148a69a948 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(8S)-3-chloro-8-(cyclopropylethynyl)-8-(trifluoromethyl)-7-azabicyclo[4.2.0]octa-1,3,5-triene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009205 |
