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(4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone
SpectraBase Compound ID 79X3iMRqyRU
InChI InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-
InChIKey CBQXHTWJSZXYSK-DFTQQVSXSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eTK9IIqsi
Name (4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone
Alternate Name(s) (4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethyl-cyclohex-2-en-1-one
CAS Registry Number 13215-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-
InChIKey CBQXHTWJSZXYSK-DFTQQVSXSA-N
Molecular Weight 190.286 g/mol
SMILES C=1(\C(C(CC(C1)=O)(C)C)=C\C=C\C)C
SPLASH splash10-0006-5900000000-0d6a0c3dc0ffb070338f
Source of Spectrum Va-0-0-0
Wiley ID 739125