| SpectraBase Spectrum ID |
FQrBZC7aGqs |
| Name |
Irbesartan-A (-N3H) |
| Classification |
Pharmaceutical drug artifact |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.215412500 u |
| Formula |
C25H27N3O |
| InChI |
InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3 |
| InChIKey |
KWEQEHOPDHARIA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.511 g/mol |
| Nominal Mass |
385 u |
| Quality |
885 |
| Retention Index |
3089 |
| SMILES |
C12(C(N(C(=N2)CCCC)CC2=CC=C(C=3C(=CC=CC3)C#N)C=C2)=O)CCCC1 |
| SPLASH |
splash10-0006-2947000000-f2e6611e30ea32e3c8ba |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)[1,1'-biphenyl]-2-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006221 |
![2-Butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one](/api/spectrum/FQrBZC7aGqs/structure.png?h=300&w=458 "2-Butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one")
