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1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethoxy)-, dimethyl ester, (1.alpha.,2.alpha.,4.alpha.)-
SpectraBase Compound ID KgnWjF3hNqe
InChI InChI=1S/C13H22O5/c1-13(2,3)18-8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3/t8-,9+,10-
InChIKey NMBVNCRHJSVBQK-ILWJIGKKSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY8xEc9hdDi
Name 1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethoxy)-, dimethyl ester, (1.alpha.,2.alpha.,4.alpha.)-
CAS Registry Number 122845-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-13(2,3)18-8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3/t8-,9+,10-
InChIKey NMBVNCRHJSVBQK-ILWJIGKKSA-N
Molecular Weight 258.314 g/mol
SMILES [C@@]1([C@](C(=O)OC)(C[C@](C1)(OC(C)(C)C)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0ap3-9500000000-1c34d972008d2362f5b5
Source of Spectrum J-54-5120-8
Synonyms (1.alpha.,2.alpha.,4.alpha.)-4-tert-butoxy-1,2-cyclopentanedicarboxylic acid bis(methylester) Dimethyl (1R,2S)-4-tert-butoxy-1,2-cyclopentanedicarboxylate
Wiley ID 1261567