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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 9XfzlY4rm2G
Name CYCLOPENTANONE, 2-ACETYL-3,3-DIMETHYL-2-(3-OXO-1-BUTENYL)-, (E)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 222.1251
SMILES C1CC(C)(C)C(C(=O)C)(\C=C/C(C)=O)C1=O
SPLASH splash10-02fx-4900000000-6eec3b621b4f9ac389ed
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany