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3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclopent-2-en-1-one
SpectraBase Compound ID KAqCCDZ9Zlp
InChI InChI=1S/C11H14O2/c1-8(12)4-5-9-6-10(13)7-11(9,2)3/h4-6H,7H2,1-3H3/b5-4+
InChIKey ITFUXJPQDHCWTM-SNAWJCMRSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpKspDGFatQ
Name 3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclopent-2-en-1-one
Alternate Name(s) 4,4-Dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclopent-2-en-1-one 4,4-Dimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclopent-2-enone 4,4-Dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopent-2-en-1-one
CAS Registry Number 125254-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(12)4-5-9-6-10(13)7-11(9,2)3/h4-6H,7H2,1-3H3/b5-4+
InChIKey ITFUXJPQDHCWTM-SNAWJCMRSA-N
Molecular Weight 178.231 g/mol
SMILES C=1(C(CC(C1)=O)(C)C)\C=C\C(=O)C
SPLASH splash10-000l-6900000000-cf3cb50fd850d0a2801f
Source of Spectrum H-72-764-36
Wiley ID 1174320