| SpectraBase Spectrum ID |
JHavbW4HuuO |
| Name |
Irbesartan-A (-C4H9) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
372.169859287 u |
| Formula |
C21H20N6O |
| InChI |
InChI=1S/C21H20N6O/c28-20-21(11-3-4-12-21)22-14-27(20)13-15-7-9-16(10-8-15)17-5-1-2-6-18(17)19-23-25-26-24-19/h1-2,5-10,14H,3-4,11-13H2,(H,23,24,25,26) |
| InChIKey |
ZSQRBHLZCYNZTD-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
372.432 g/mol |
| Nominal Mass |
372 u |
| Reagent Gas |
Methane |
| Retention Index |
3302 |
| SMILES |
C12(C(N(C=N2)CC2=CC=C(C=3C(C=4NN=NN4)=CC=CC3)C=C2)=O)CCCC1 |
| SPLASH |
splash10-00di-0319100000-ef4ace24a74ad78e4b51 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-((2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)-1,3-diazaspiro[4.4]non-1-en-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001765 |
