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5,5-Dimethyl-3-(1H-1,2,4-triazol-5-ylamino)-1-cyclohex-2-enone

View entire compound with spectra: 2 MS (GC)

5,5-Dimethyl-3-(1H-1,2,4-triazol-5-ylamino)-1-cyclohex-2-enone
SpectraBase Compound ID IX1g0dUwjzZ
InChI InChI=1S/C10H14N4O/c1-10(2)4-7(3-8(15)5-10)13-9-11-6-12-14-9/h3,6H,4-5H2,1-2H3,(H2,11,12,13,14)
InChIKey BGXYNMYHIFRMBV-UHFFFAOYSA-N
Mol Weight 206.25 g/mol
Molecular Formula C10H14N4O
Exact Mass 206.116761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IINEV0CyEQ6
Name 3-((4H-1,2,4-Triazol-3-yl)amino)-5,5-dimethylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O
InChI InChI=1S/C10H14N4O/c1-10(2)4-7(3-8(15)5-10)13-9-11-6-12-14-9/h3,6H,4-5H2,1-2H3,(H2,11,12,13,14)
InChIKey BGXYNMYHIFRMBV-UHFFFAOYSA-N
Literature Reference DOI 10.3987/COM-15-13353
Molecular Weight 206.249 g/mol
SMILES N(C1=CC(CC(C1)(C)C)=O)c1nnc[nH]1
SPLASH splash10-00di-0910000000-0376db76766e63d86879
Source of Spectrum H1-92-642-3a
Wiley ID 1804099