| SpectraBase Spectrum ID |
L2dpYwEgrPL |
| Name |
Bedaquiline artifact-2 |
| Classification |
Antibiotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
327.025877074 u |
| Formula |
C17H14NOBr |
| InChI |
InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3 |
| InChIKey |
WMFHVNYOCKTDMX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
328.209 g/mol |
| Related CAS Registry Number(s) |
843663-66-1 |
| SMILES |
c1cc2c(cc(Cc3ccccc3)c(n2)OC)cc1Br |
| SPLASH |
splash10-00p0-1395000000-64742f18cf4a312040fa |
| 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_9448 |
