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1-Penten-3-one, 2-methyl-1-phenyl-, semicarbazone
SpectraBase Compound ID 1GlsRwyIHCI
InChI InChI=1S/C13H17N3O/c1-3-12(15-16-13(14)17)10(2)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H3,14,16,17)/b10-9+,15-12+
InChIKey LLHGGYCJJKWMJE-MKQCFFQWSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rMDmxkVBoT
Name 1-Penten-3-one, 2-methyl-1-phenyl-, semicarbazone
CAS Registry Number 16983-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-3-12(15-16-13(14)17)10(2)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H3,14,16,17)/b10-9+,15-12+
InChIKey LLHGGYCJJKWMJE-MKQCFFQWSA-N
Molecular Weight 231.299 g/mol
SMILES N(\N=C/(CC)\C(C)=C\c1ccccc1)C(N)=O
SPLASH splash10-01pc-3900000000-14e908b69fbd9b26a700
Source of Spectrum T-67-2665-0
Synonyms (1E,3E)-2-Methyl-1-phenyl-1-penten-3-one semicarbazone 1-[(E)-[(E)-2-methyl-1-phenyl-pent-1-en-3-ylidene]amino]urea [(E)-[(E)-1-ethyl-2-methyl-3-phenyl-prop-2-enylidene]amino]urea [(E)-[(E)-2-methyl-1-phenylpent-1-en-3-ylidene]amino]urea
Wiley ID 1232810