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Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(hydroxymethyl)-, dimethyl ester, (cis)-
SpectraBase Compound ID 5X15mdZSWq9
InChI InChI=1S/C13H20O5/c1-17-11(15)10-8-3-5-9(6-4-8)13(10,7-14)12(16)18-2/h8-10,14H,3-7H2,1-2H3/t8?,9?,10-,13-/m0/s1
InChIKey LPDSRMOQCMWZDY-GPCLJDEGSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SaGjddGAIE
Name Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(hydroxymethyl)-, dimethyl ester, (cis)-
CAS Registry Number 127594-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-17-11(15)10-8-3-5-9(6-4-8)13(10,7-14)12(16)18-2/h8-10,14H,3-7H2,1-2H3/t8?,9?,10-,13-/m0/s1
InChIKey LPDSRMOQCMWZDY-GPCLJDEGSA-N
Molecular Weight 256.298 g/mol
SMILES OC[C@]1([C@](C(=O)OC)(C2CCC1CC2)[H])C(=O)OC
SPLASH splash10-002o-2900000000-963b0076ce3d44c65600
Source of Spectrum J-55-4336-23
Synonyms 2-(hydroxymethyl)bicyclo[2.2.2]octane-2,3-dicarboxylic acid methyl ester Dimethyl (2S,3R)-2-(hydroxymethyl)bicyclo[2.2.2]octane-2,3-dicarboxylate
Wiley ID 1259570