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Methyl (2E)-3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-2-propenoate
SpectraBase Compound ID AUfO1PFepbu
InChI InChI=1S/C13H18O4/c1-9(14)13(8-6-11(16)17-4)10(15)5-7-12(13,2)3/h6,8H,5,7H2,1-4H3/b8-6+
InChIKey IRTPOUSNJJOZOX-SOFGYWHQSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1QnEWAe2bP
Name Methyl (2E)-3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-2-propenoate
Alternate Name(s) (E)-3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-2-propenoic acid methyl ester (E)-3-(1-acetyl-5-keto-2,2-dimethyl-cyclopentyl)acrylic acid methyl ester Methyl (E)-3-(1-acetyl-2,2-dimethyl-5-oxo-cyclopentyl)prop-2-enoate Methyl (E)-3-(1-ethanoyl-2,2-dimethyl-5-oxidanylidene-cyclopentyl)prop-2-enoate
CAS Registry Number 70412-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9(14)13(8-6-11(16)17-4)10(15)5-7-12(13,2)3/h6,8H,5,7H2,1-4H3/b8-6+
InChIKey IRTPOUSNJJOZOX-SOFGYWHQSA-N
Molecular Weight 238.283 g/mol
SMILES C1C(C(C(C1)(C)C)(\C=C\C(=O)OC)C(C)=O)=O
SPLASH splash10-0002-1900000000-59eaca613fd8ac8cfc50
Source of Spectrum H-62-573-0
Wiley ID 1240457