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3-BENZYL-4-HYDROXY-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID HllitNf5R9p
InChI InChI=1S/C9H9N3O/c13-12-7-10-11-9(12)6-8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKey SJAPIRXUMQINFZ-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C9H9N3O
Exact Mass 175.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JICFPpHEKUG
Name 3-Benzyl-4H-1,2,4-triazol-4-ol
CAS Registry Number 31409-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O
InChI InChI=1S/C9H9N3O/c13-12-7-10-11-9(12)6-8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKey SJAPIRXUMQINFZ-UHFFFAOYSA-N
Molecular Weight 175.191 g/mol
SMILES O[n]1cnnc1Cc1ccccc1
SPLASH splash10-0a4i-5900000000-8f4c48f23dda271f6ac7
Source of Spectrum W5-1989-36409-29127
Synonyms 3-Benzyl-4-hydroxy-1,2,4-triazole 3-Benzyl-4-hydroxy-4H-1,2,4-triazole 4-Hydroxy-3-(phenylmethyl)-1,2,4-triazole 4-Oxidanyl-3-(phenylmethyl)-1,2,4-triazole
Wiley ID 1171369