| SpectraBase Spectrum ID |
8FBOA4yltFw |
| Name |
Benazepril 2ME I |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
452.231122133 u |
| Formula |
C26H32N2O5 |
| InChI |
InChI=1S/C26H32N2O5/c1-4-33-26(31)23(16-14-19-10-6-5-7-11-19)27(2)22-17-15-20-12-8-9-13-21(20)28(25(22)30)18-24(29)32-3/h5-13,22-23H,4,14-18H2,1-3H3/t22-,23?/m0/s1 |
| InChIKey |
VOJRVTDZIDRMJD-NQCNTLBGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
452.551 g/mol |
| Nominal Mass |
452 u |
| Quality |
933 |
| Retention Index |
3468 |
| SMILES |
C=12N(C([C@](CCC2=CC=CC1)(N(C(C(OCC)=O)CCC=1C=CC=CC1)C)[H])=O)CC(OC)=O |
| SPLASH |
splash10-005c-1937100000-fc07d51e57e7a359d670 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 2-(((3S)-1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)\r(methyl)amino)-4-phenylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006338 |
