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BNWQEHYYXTVKOF-UHFFFAOYSA-N
SpectraBase Compound ID 4LCvQSrqyoo
InChI InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2
InChIKey BNWQEHYYXTVKOF-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C9H9N3
Exact Mass 159.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32Eyp5WLhKH
Name 1-Benzyl-1H-1,2,4-triazole
CAS Registry Number 6085-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3
InChI InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2
InChIKey BNWQEHYYXTVKOF-UHFFFAOYSA-N
Molecular Weight 159.192 g/mol
SMILES c1nc[n](n1)Cc1ccccc1
SPLASH splash10-0k9x-9500000000-b40b5b941efef0a22c05
Source of Spectrum QC-19-2688-12a
Synonyms 1-(Phenylmethyl)-1,2,4-triazole 1H-1,2,4-Triazole, 1-(phenylmethyl)- 1-Benzyl-1,2,4-triazole 1-Benzyl-s-triazole 1H-1,2,4-Triazole, 1-benzyl- BRN 0118646 L-22080
Wiley ID 1687897