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3-(1H-1,2,4-Triazol-1-ylmethyl)cyclohexanone
SpectraBase Compound ID Gv9qFbTeL02
InChI InChI=1S/C9H13N3O/c13-9-3-1-2-8(4-9)5-12-7-10-6-11-12/h6-8H,1-5H2
InChIKey ZREKDCXPAFUSHL-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C9H13N3O
Exact Mass 179.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb9je1ePEZx
Name 3-(1H-1,2,4-Triazol-1-ylmethyl)cyclohexanone
CAS Registry Number 329933-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O
InChI InChI=1S/C9H13N3O/c13-9-3-1-2-8(4-9)5-12-7-10-6-11-12/h6-8H,1-5H2
InChIKey ZREKDCXPAFUSHL-UHFFFAOYSA-N
Molecular Weight 179.223 g/mol
SMILES C1CCC(CC1C[n]1cncn1)=O
SPLASH splash10-0ll3-9100000000-5853fcb41262549d5e6f
Source of Spectrum AD-0-2532-0
Synonyms 3-(1,2,4-triazol-1-ylmethyl)-1-cyclohexanone 3-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one 3-(1,2,4-triazol-1-ylmethyl)cyclohexanone Cyclohexanone, 3-(1,2,4-triazol-1-yl)methyl-
Wiley ID 1423803