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Cyclopentaneacetic acid, 4-oxo-2-(2-oxopropyl)-, ethyl ester, trans-
SpectraBase Compound ID m3sm2kzYhy
InChI InChI=1S/C12H18O4/c1-3-16-12(15)7-10-6-11(14)5-9(10)4-8(2)13/h9-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKey JOUKMCVMHOXZKC-ZJUUUORDSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDrnJnc8m
Name Cyclopentaneacetic acid, 4-oxo-2-(2-oxopropyl)-, ethyl ester, trans-
CAS Registry Number 62359-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-16-12(15)7-10-6-11(14)5-9(10)4-8(2)13/h9-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKey JOUKMCVMHOXZKC-ZJUUUORDSA-N
Molecular Weight 226.272 g/mol
SMILES [C@]1([C@@](CC(C1)=O)(CC(=O)C)[H])(CC(=O)OCC)[H]
SPLASH splash10-014i-3910000000-208b7a8c61ec6d734eb0
Source of Spectrum K-110-151-0
Synonyms 2-[(1S,2R)-4-oxo-2-(2-oxopropyl)cyclopentyl]acetic acid ethyl ester Ethyl 2-[(1S,2R)-4-oxo-2-(2-oxopropyl)cyclopentyl]acetate Ethyl 2-[(1S,2R)-2-acetonyl-4-oxo-cyclopentyl]acetate Ethyl 2-[(1S,2R)-4-oxidanylidene-2-(2-oxidanylidenepropyl)cyclopentyl]ethanoate
Wiley ID 1227244