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BXGJQVZGMDZILG-AOOOYVTPSA-N
SpectraBase Compound ID HJPv4xUMFQD
InChI InChI=1S/C12H20O4/c1-15-11(13)9-6-4-3-5-7-10(8-9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey BXGJQVZGMDZILG-AOOOYVTPSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JuSJxewuT
Name Dimethyl (1R,3S)-cyclooctane-1,3-dicarboxylate
Alternate Name(s) Dimethyl (1S,3R)-cyclooctane-1,3-dicarboxylate
CAS Registry Number 54905-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-15-11(13)9-6-4-3-5-7-10(8-9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey BXGJQVZGMDZILG-AOOOYVTPSA-N
Molecular Weight 228.288 g/mol
SMILES C([C@]1(C[C@@](C(=O)OC)(CCCCC1)[H])[H])(=O)OC
SPLASH splash10-014i-9700000000-24f36d8bed326d9d1a05
Source of Spectrum C-98-1819-13
Wiley ID 1229517