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1,3-Cyclopentanedicarboxylic acid, 2,4,5-trihydroxy-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID 7tIrMTF91GZ
InChI InChI=1S/C9H14O7/c1-15-8(13)3-5(10)4(9(14)16-2)7(12)6(3)11/h3-7,10-12H,1-2H3/t3-,4+,5+,6+,7-
InChIKey ITKCIVOKIBILJK-SZAPDPGCSA-N
Mol Weight 234.2 g/mol
Molecular Formula C9H14O7
Exact Mass 234.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BngjQAri7Z9
Name 1,3-Cyclopentanedicarboxylic acid, 2,4,5-trihydroxy-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.)-
Alternate Name(s) Dimethyl (1R,3S,4R,5S)-2,4,5-trihydroxy-1,3-cyclopentanedicarboxylate Dimethyl 2.alpha.,3.alpha.,5.beta.-trihydroxy-1.beta.,4.beta.-cyclopentadicarboxylate
CAS Registry Number 112576-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O7
InChI InChI=1S/C9H14O7/c1-15-8(13)3-5(10)4(9(14)16-2)7(12)6(3)11/h3-7,10-12H,1-2H3/t3-,4+,5+,6+,7-
InChIKey ITKCIVOKIBILJK-SZAPDPGCSA-N
Molecular Weight 234.204 g/mol
SMILES O[C@@]1([C@@]([C@]([C@]([C@]1(C(=O)OC)[H])(O)[H])(C(=O)OC)[H])(O)[H])[H]
SPLASH splash10-0uk9-6900000000-53ae40632db4d2a13363
Source of Spectrum J-53-941-6
Wiley ID 1235417