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Benzeneacetic acid, 4-(4H-1,2,4-triazol-4-yl)-
SpectraBase Compound ID 5JV4qsL2qgs
InChI InChI=1S/C10H9N3O2/c14-10(15)5-8-1-3-9(4-2-8)13-6-11-12-7-13/h1-4,6-7H,5H2,(H,14,15)
InChIKey FDMDQFRWRSOCPC-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C10H9N3O2
Exact Mass 203.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TQYrGFTRXI
Name Benzeneacetic acid, 4-(4H-1,2,4-triazol-4-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O2
InChI InChI=1S/C10H9N3O2/c14-10(15)5-8-1-3-9(4-2-8)13-6-11-12-7-13/h1-4,6-7H,5H2,(H,14,15)
InChIKey FDMDQFRWRSOCPC-UHFFFAOYSA-N
Molecular Weight 203.201 g/mol
SMILES OC(Cc1ccc(-[n]2cnnc2)cc1)=O
SPLASH splash10-0udi-9200000000-f551dfec404576c80821
Source of Spectrum IY-2-4934-2
Synonyms 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanoic acid
Wiley ID 1657325