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3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, semicarbazone
SpectraBase Compound ID AiRLi6PYUKT
InChI InChI=1S/C14H23N3O/c1-10-6-5-9-14(3,4)12(10)8-7-11(2)16-17-13(15)18/h7-8H,5-6,9H2,1-4H3,(H3,15,17,18)/b8-7+,16-11+
InChIKey KONFNVUQMJEATQ-LLDULDGKSA-N
Mol Weight 249.36 g/mol
Molecular Formula C14H23N3O
Exact Mass 249.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvL3XKvMsj8
Name 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, semicarbazone
CAS Registry Number 2302-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23N3O
InChI InChI=1S/C14H23N3O/c1-10-6-5-9-14(3,4)12(10)8-7-11(2)16-17-13(15)18/h7-8H,5-6,9H2,1-4H3,(H3,15,17,18)/b8-7+,16-11+
InChIKey KONFNVUQMJEATQ-LLDULDGKSA-N
Molecular Weight 249.358 g/mol
SMILES N(\N=C\(\C=C\C=1C(C)(C)CCCC1C)C)C(N)=O
SPLASH splash10-00lr-6690000000-a671dfbe02ad18bf0d32
Source of Spectrum SD-1981-0-0
Synonyms (2E,3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one semicarbazone 1-[(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]urea [(E)-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]amino]urea [(E)-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]amino]urea [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]urea
Wiley ID 1252288