| SpectraBase Spectrum ID |
JIxJ86KdjIe |
| Name |
Amitriptyline |
| CAS Registry Number |
50-48-6 |
| Classification |
Pharmaceutical drug, antidepressant |
| 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 |
277.183049745 u |
| Formula |
C20H23N |
| InChI |
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
| InChIKey |
KRMDCWKBEZIMAB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.411 g/mol |
| Nominal Mass |
277 u |
| Quality |
984 |
| Retention Index |
2196 |
| SMILES |
C1(C2=C(CCC=3C1=CC=CC3)C=CC=C2)=CCCN(C)C |
| SPLASH |
splash10-0a4i-9000000000-2e1f277bb7264c00cee8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Amitriptilina
Amitriptylin
Amitryptilin
3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-propylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000149 |
