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Cyclopentanone, 2-acetyl-3,3-dimethyl-2-(3-oxo-1-butenyl)-, (E)-
SpectraBase Compound ID 4wOhgctRIzl
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13(10(2)15)11(16)6-7-12(13,3)4/h5,8H,6-7H2,1-4H3/b8-5-
InChIKey IFRLYBSIBCADBD-YVMONPNESA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3S3JJZKvaZN
Name Cyclopentanone, 2-acetyl-3,3-dimethyl-2-(3-oxo-1-butenyl)-, (E)-
CAS Registry Number 70412-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13(10(2)15)11(16)6-7-12(13,3)4/h5,8H,6-7H2,1-4H3/b8-5-
InChIKey IFRLYBSIBCADBD-YVMONPNESA-N
Molecular Weight 222.284 g/mol
SMILES CC1(C(C(CC1)=O)(\C=C/C(=O)C)C(=O)C)C
SPLASH splash10-02fx-4900000000-581e22c38856fd48da01
Synonyms 2-Acetyl-2-[(Z)-3-ketobut-1-enyl]-3,3-dimethyl-cyclopentanone 2-Acetyl-3,3-dimethyl-2-[(1Z)-3-oxo-1-butenyl]cyclopentanone 2-Acetyl-3,3-dimethyl-2-[(Z)-3-oxobut-1-enyl]-1-cyclopentanone 2-Acetyl-3,3-dimethyl-2-[(Z)-3-oxobut-1-enyl]cyclopentan-1-one 2-Acetyl-3,3-dimethyl-2-[(Z)-3-oxobut-1-enyl]cyclopentanone 2-Ethanoyl-3,3-dimethyl-2-[(Z)-3-oxidanylidenebut-1-enyl]cyclopentan-1-one
Wiley ID 1489254