| SpectraBase Spectrum ID |
5Xa8uPcnldQ |
| Name |
Carbamazepine-M (Carbaldehyde) |
| CAS Registry Number |
885-23-4 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
207.068413913 u |
| Formula |
C14H9NO |
| InChI |
InChI=1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H |
| InChIKey |
ISOCABSXIKQOOV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
207.232 g/mol |
| Nominal Mass |
207 u |
| Quality |
983 |
| Retention Index |
2032 |
| SMILES |
C=1(C=2C(N=C3C1C=CC=C3)=CC=CC2)C=O |
| SPLASH |
splash10-056r-2930000000-cd5ab58e785d9600c4d4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-Acridinealdehyde
9-Formylacridine
Acridine-9-carbaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006387 |
