| SpectraBase Spectrum ID |
JH59CDOqPr6 |
| Name |
Verapamil |
| CAS Registry Number |
52-53-9 |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (seven 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 |
454.283157708 u |
| Formula |
C27H38N2O4 |
| InChI |
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 |
| InChIKey |
SGTNSNPWRIOYBX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
454.611 g/mol |
| Nominal Mass |
454 u |
| Quality |
989 |
| Retention Index |
3410 |
| SMILES |
C(C=1C=C(C(=CC1)OC)OC)(C(C)C)(CCCN(CCC1=CC(=C(C=C1)OC)OC)C)C#N |
| SPLASH |
splash10-0udi-6419000000-7fa2a051ac94d822435b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-[N-(3,4-Dimethoxyphenethyl)-N-(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-iso-propyl-valero-\rnitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004249 |
