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1-[3',5',5'-Trimethyl-1',3'-cyclohexadien-1'-yl]-2-buten-1-one

View entire compound with spectra: 1 MS (GC)

1-[3',5',5'-Trimethyl-1',3'-cyclohexadien-1'-yl]-2-buten-1-one
SpectraBase Compound ID CjX2mDyGew7
InChI InChI=1S/C13H18O/c1-5-6-12(14)11-7-10(2)8-13(3,4)9-11/h5-8H,9H2,1-4H3/b6-5+
InChIKey NFACLHXBFJUBOP-AATRIKPKSA-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 Djt0JyMXVAr
Name 1-[3',5',5'-Trimethyl-1',3'-cyclohexadien-1'-yl]-2-buten-1-one
Alternate Name(s) (2E)-1-(3,5,5-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-6-12(14)11-7-10(2)8-13(3,4)9-11/h5-8H,9H2,1-4H3/b6-5+
InChIKey NFACLHXBFJUBOP-AATRIKPKSA-N
Molecular Weight 190.286 g/mol
SMILES C1(=CC(C)=CC(C1)(C)C)C(\C=C\C)=O
SPLASH splash10-004i-5900000000-392ec4b5d3fb31b3ff36
Source of Spectrum U-1996-813-21
Wiley ID 768422