| SpectraBase Spectrum ID |
B2IRzeWRi9w |
| Name |
Bedaquiline artifact-3 |
| Classification |
Antibiotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
341.041527138 u |
| Formula |
C18H16NOBr |
| InChI |
InChI=1S/C18H16BrNO/c1-12(13-6-4-3-5-7-13)16-11-14-10-15(19)8-9-17(14)20-18(16)21-2/h3-12H,1-2H3 |
| InChIKey |
KAAXILBEYVCSRM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
342.236 g/mol |
| Related CAS Registry Number(s) |
843663-66-1 |
| SMILES |
c1cc2c(cc(C(c3ccccc3)C)c(n2)OC)cc1Br |
| SPLASH |
splash10-0pbc-2495000000-53e095f10f91c503a81c |
| 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_9449 |
