| SpectraBase Spectrum ID |
8IYSCpUc3VY |
| Name |
N-Desmethylcyclobenzaprine |
| CAS Registry Number |
303-50-4 |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
261.151749616 u |
| Formula |
C19H19N |
| InChI |
InChI=1S/C19H19N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-13,20H,6,14H2,1H3 |
| InChIKey |
XECQQDXTQRYYBH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
261.368 g/mol |
| Nominal Mass |
261 u |
| Quality |
993 |
| Retention Index |
2048 |
| SMILES |
C1(C=2C(C=CC3=C1C=CC=C3)=CC=CC2)=CCCNC |
| SPLASH |
splash10-0006-9130000000-3be099ba538268f77ba9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033399 |
