| SpectraBase Spectrum ID |
8InYEfejQCu |
| Name |
Carbamazepine-M (OCH3,-CONH2,enol) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
281.105193344 u |
| Formula |
C17H15NO3 |
| InChI |
InChI=1S/C17H15NO3/c1-11(19)21-17-9-12-5-3-4-6-15(12)18-16-8-7-13(20-2)10-14(16)17/h3-10,18H,1-2H3 |
| InChIKey |
MKPHUHTYZBGZRG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
281.311 g/mol |
| Nominal Mass |
281 u |
| Quality |
905 |
| Retention Index |
2230 |
| SMILES |
C12=C(NC=3C(C=C2OC(=O)C)=CC=CC3)C=CC(=C1)OC |
| SPLASH |
splash10-000i-0590000000-28a643f40418875ac239 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-methoxy-5H-dibenzo[b,f]azepin-10-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001682 |
