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1H-1,2,4-Triazole-3-carboxaldehyde, 5-(phenylmethyl)-
SpectraBase Compound ID 2C2BlSuWfib
InChI InChI=1S/C10H9N3O/c14-7-10-11-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,13)
InChIKey WIYOJTVQCZVONW-UHFFFAOYSA-N
Mol Weight 187.2 g/mol
Molecular Formula C10H9N3O
Exact Mass 187.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CFKz85KX7B
Name 1H-1,2,4-Triazole-3-carboxaldehyde, 5-(phenylmethyl)-
CAS Registry Number 56804-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O
InChI InChI=1S/C10H9N3O/c14-7-10-11-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,13)
InChIKey WIYOJTVQCZVONW-UHFFFAOYSA-N
Molecular Weight 187.202 g/mol
SMILES [nH]1nc(nc1Cc1ccccc1)C=O
SPLASH splash10-0173-9500000000-78f12632fb3e51d5452c
Source of Spectrum EP-7328-0-0
Synonyms 5-Benzyl-4H-1,2,4-triazole-3-carbaldehyde 5-(Phenylmethyl)-1H-1,2,4-triazole-3-carbaldehyde 5-(Phenylmethyl)-1H-1,2,4-triazole-3-carboxaldehyde 5-Benzyl-1H-1,2,4-triazole-3-carbaldehyde
Wiley ID 1183787