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Irbesartan-A (-C4H9)
SpectraBase Compound ID GUmXPefTquO
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
Mol Weight 372.43 g/mol
Molecular Formula C21H20N6O
Exact Mass 372.169859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I9arbB1YPY
Name Irbesartan-A (-C4H9)
Classification Pharmaceutical drug artifact
Comments Spectrum verified by independent measurements in external laboratories
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 Electron Ionization (EI)
Molecular Weight 372.432 g/mol
Nominal Mass 372 u
Quality 955
Retention Index 3302
SMILES C12(C(N(C=N2)CC2=CC=C(C=3C(C=4NN=NN4)=CC=CC3)C=C2)=O)CCCC1
SPLASH splash10-004i-2935000000-d7c9a4245ff5df62afbf
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_001764