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1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethyl)-, dimethyl ester, (1.alpha.,2.alpha.,4.alpha.)-
SpectraBase Compound ID LiCFHQ9SYlA
InChI InChI=1S/C13H22O4/c1-13(2,3)8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3
InChIKey ATXYRULYGUXKCA-UHFFFAOYSA-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 KB0Sweln1Xx
Name 1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethyl)-, dimethyl ester, (1.alpha.,2.alpha.,4.alpha.)-
CAS Registry Number 55044-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-13(2,3)8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3
InChIKey ATXYRULYGUXKCA-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(OC)(=O)C1C(C(OC)=O)CC(C1)C(C)(C)C
SPLASH splash10-0ar3-9400000000-8b4e19d39261d8daddc8
Source of Spectrum A-2-177-1
Synonyms 1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethyl)-, dimethyl ester, (1.alpha.,2.alpha.,4.beta.)- 1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethyl)-, dimethyl ester, (1.alpha.,2.beta.,4.beta.)- Dimethyl 4-tert-butyl-1,2-cyclopentanedicarboxylate 4-tert-Butylcyclopentane-1,2-dicarboxylic acid dimethyl ester Dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
Wiley ID 1244930