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Irbesartan ME
SpectraBase Compound ID FIao5NjXYdL
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
Mol Weight 442.57 g/mol
Molecular Formula C26H30N6O
Exact Mass 442.24811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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