| SpectraBase Spectrum ID |
m8nsXQLGC |
| Name |
Etravirine |
| CAS Registry Number |
269055-15-4 |
| Classification |
Virustatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
434.049072126 u |
| Formula |
C20H15BrN6O |
| InChI |
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) |
| InChIKey |
PYGWGZALEOIKDF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
435.285 g/mol |
| SMILES |
C(#N)c1ccc(Nc2nc(Oc3c(cc(cc3C)C#N)C)c(Br)c(n2)N)cc1 |
| SPLASH |
splash10-0a4i-3923100000-2870f5b84c0d79094f88 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7943 |
