| SpectraBase Spectrum ID |
4sw6FzutUm |
| Name |
Bedaquiline artifact-1 |
| Classification |
Antibiotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
182.073164941 u |
| Formula |
C13H10O |
| InChI |
InChI=1S/C13H10O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2 |
| InChIKey |
LOWVNVYYWFTFII-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
182.222 g/mol |
| Related CAS Registry Number(s) |
843663-66-1 |
| SMILES |
c1cccc2cccc(c12)C(=O)C=C |
| SPLASH |
splash10-056r-3900000000-5901c2735a29bbe83a92 |
| 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_9450 |
