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3-(1H-1,2,4-triazol-5-ylamino)-1-cyclohex-2-enone
SpectraBase Compound ID 5Zg9q1E1nek
InChI InChI=1S/C8H10N4O/c13-7-3-1-2-6(4-7)11-8-9-5-10-12-8/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKey VYBAUAKMNPYQED-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C8H10N4O
Exact Mass 178.085461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tvSi21U2jH
Name 3-(1H-1,2,4-triazol-5-ylamino)-1-cyclohex-2-enone
Alternate Name(s) 3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one Cyclohex-2-enone, 3-(4H-[1,2,4]triazol-3-ylamino)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N4O
InChI InChI=1S/C8H10N4O/c13-7-3-1-2-6(4-7)11-8-9-5-10-12-8/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKey VYBAUAKMNPYQED-UHFFFAOYSA-N
Molecular Weight 178.195 g/mol
SMILES N(C=1CCCC(=O)C1)c1nnc[nH]1
SPLASH splash10-0fya-9400000000-358f5d9e176eef987c29
Source of Spectrum AD-0-2532-0
Wiley ID 1435911