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3,5,5-trimethyl-4-[(E)-1-oxobut-2-enyl]-1-cyclohex-3-enone
SpectraBase Compound ID G9NBFV3z6vE
InChI InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey IVBOBZYOBZBYMI-AATRIKPKSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFPlW2h88ji
Name 3,5,5-trimethyl-4-[(E)-1-oxobut-2-enyl]-1-cyclohex-3-enone
Alternate Name(s) 4-[(E)-but-2-enoyl]-3,5,5-trimethyl-cyclohex-3-en-1-one
CAS Registry Number 73126-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey IVBOBZYOBZBYMI-AATRIKPKSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=C(CC(CC1(C)C)=O)C)C(\C=C\C)=O
SPLASH splash10-05mo-9600000000-05dd7c596aae0d0ed824
Source of Spectrum B-42-2081-3
Wiley ID 1204776