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1,3-Cyclopentanediacetic acid, 4,5-dimethyl-, dimethyl ester, (1.alpha.,3.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID IWLVOGRIZbR
InChI InChI=1S/C13H22O4/c1-8-9(2)11(7-13(15)17-4)5-10(8)6-12(14)16-3/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11-
InChIKey RFVOLLXFFYWWOC-CKIJPRSSSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLER5bNFvzz
Name 1,3-Cyclopentanediacetic acid, 4,5-dimethyl-, dimethyl ester, (1.alpha.,3.alpha.,4.beta.,5.beta.)-
CAS Registry Number 55409-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-8-9(2)11(7-13(15)17-4)5-10(8)6-12(14)16-3/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11-
InChIKey RFVOLLXFFYWWOC-CKIJPRSSSA-N
Molecular Weight 242.315 g/mol
SMILES [C@]1([C@@]([C@](C)([C@](C1)(CC(=O)OC)[H])[H])(C)[H])(CC(=O)OC)[H]
SPLASH splash10-03di-0090000000-39a8c8d06f6603b9ae39
Source of Spectrum C-97-1899-0
Synonyms Dimethyl trans,trans-2,3-dimethyl-cyclopentane-cis-1,4-diacetate Methyl[(1R,2R,3S,4S)-4-(2-methoxy-2-oxoethyl)-2,3-dimethylcyclopentyl]acetate
Wiley ID 1244935