| SpectraBase Spectrum ID |
B3PJUsn18ls |
| Name |
Bupropion-M (-C6H15N) |
| CAS Registry Number |
535-80-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
155.997807099 u |
| Formula |
C7H5ClO2 |
| InChI |
InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
LULAYUGMBFYYEX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
156.568 g/mol |
| Nominal Mass |
156 u |
| Quality |
990 |
| Retention Index |
1330 |
| SMILES |
OC(C=1C=C(C=CC1)Cl)=O |
| SPLASH |
splash10-0a4r-2900000000-dda705257c3749440e8b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-chloro-
3-chlorobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024284 |
