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1,2-Cyclopentanediacetic acid, 1,2-bis(methoxycarbonyl)-, cis-
SpectraBase Compound ID 1Sd82oqmQVX
InChI InChI=1S/C13H18O8/c1-20-10(18)12(6-8(14)15)4-3-5-13(12,7-9(16)17)11(19)21-2/h3-7H2,1-2H3,(H,14,15)(H,16,17)/t12-,13+
InChIKey QQLAFQOWJBBLCV-BETUJISGSA-N
Mol Weight 302.28 g/mol
Molecular Formula C13H18O8
Exact Mass 302.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaFwaaqhthp
Name 1,2-Cyclopentanediacetic acid, 1,2-bis(methoxycarbonyl)-, cis-
Alternate Name(s) meso-1,2-bismethoxycarbonylcylopentane-1,2-diacetic acid [(1R,2S)-2-(carboxymethyl)-1,2-bis(methoxycarbonyl)cyclopentyl]acetic acid
CAS Registry Number 91758-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O8
InChI InChI=1S/C13H18O8/c1-20-10(18)12(6-8(14)15)4-3-5-13(12,7-9(16)17)11(19)21-2/h3-7H2,1-2H3,(H,14,15)(H,16,17)/t12-,13+
InChIKey QQLAFQOWJBBLCV-BETUJISGSA-N
Molecular Weight 302.279 g/mol
SMILES OC(C[C@@]1([C@](CC(=O)O)(CCC1)C(=O)OC)C(=O)OC)=O
SPLASH splash10-056r-9630000000-cb05cc9f0b9baed0c31e
Source of Spectrum I-62-1191-0
Wiley ID 1304281