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2-Propenoic acid, 3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-, methyl ester, (Z)-
SpectraBase Compound ID 4spW0o8BYmO
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-VURMDHGXSA-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 7ZfmZ9ExsvG
Name 2-Propenoic acid, 3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-, methyl ester, (Z)-
CAS Registry Number 70412-66-7
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-VURMDHGXSA-N
Molecular Weight 238.283 g/mol
SMILES C1(\C=C/C(=O)OC)(C(CCC1=O)(C)C)C(=O)C
SPLASH splash10-0002-2900000000-212a902bb41564cf4d37
Source of Spectrum H-62-573-0
Synonyms (Z)-3-(1'-acetyl-2',2'-dimethyl-5'-oxo-1'-cyclopentyl)propionic acidmethyl ester Methyl (2Z)-3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)-2-propenoate
Wiley ID 1240456