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Cyclohexanone, 2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, (E)-
SpectraBase Compound ID ITFzX0k55hP
InChI InChI=1S/C13H20O2/c1-10(14)7-9-13(4)11(15)6-5-8-12(13,2)3/h7,9H,5-6,8H2,1-4H3/b9-7+
InChIKey JZSQQLOCLXGZCS-VQHVLOKHSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31TBSVt2tbi
Name Cyclohexanone, 2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, (E)-
CAS Registry Number 65912-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)7-9-13(4)11(15)6-5-8-12(13,2)3/h7,9H,5-6,8H2,1-4H3/b9-7+
InChIKey JZSQQLOCLXGZCS-VQHVLOKHSA-N
Molecular Weight 208.301 g/mol
SMILES C1(\C=C\C(=O)C)(C(CCCC1=O)(C)C)C
SPLASH splash10-0005-9200000000-328cdc0b18e87af11d20
Source of Spectrum H-60-2992-0
Synonyms (E)-4-(1',2',2'-trimethyl-6'-oxo-1'-cyclohexyl)-3-buten-2-one 2,3,3-trimethyl-2-[(1E)-3-oxo-1-butenyl]cyclohexanone
Wiley ID 1207124