| SpectraBase Spectrum ID |
JGKnqyBJsTA |
| Name |
Irbesartan ME |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.248109609 u |
| Formula |
C26H30N6O |
| InChI |
InChI=1S/C26H30N6O/c1-3-4-11-23-27-26(16-7-8-17-26)25(33)32(23)18-19-12-14-20(15-13-19)21-9-5-6-10-22(21)24-28-29-30-31(24)2/h5-6,9-10,12-15H,3-4,7-8,11,16-18H2,1-2H3 |
| InChIKey |
YDXKLVLFROFBFN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.567 g/mol |
| Nominal Mass |
442 u |
| Quality |
945 |
| Retention Index |
3765 |
| SMILES |
C12(C(N(C(=N2)CCCC)CC=2C=CC(C=3C(C=4N(N=NN4)C)=CC=CC3)=CC2)=O)CCCC1 |
| SPLASH |
splash10-0udi-2966800000-59621743b95300702ea5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-butyl-3-((2'-(1-methyl-1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)-1,3-diazaspiro[4.4]non-1-en-\r4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005947 |
