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dimethyl (1S,2R)-cyclooctane-1,2-dicarboxylate
SpectraBase Compound ID 3pvaSZlguQ9
InChI InChI=1S/C12H20O4/c1-15-11(13)9-7-5-3-4-6-8-10(9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey OTLDDKCWNSKSAS-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 2vlokIfkfBa
Name Dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate
Alternate Name(s) Dimethyl (1S,2R)-cyclooctane-1,2-dicarboxylate
CAS Registry Number 54905-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-15-11(13)9-7-5-3-4-6-8-10(9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey OTLDDKCWNSKSAS-AOOOYVTPSA-N
Molecular Weight 228.288 g/mol
SMILES [C@]1([C@@](C(=O)OC)(CCCCCC1)[H])(C(=O)OC)[H]
SPLASH splash10-0aor-0900000000-c64ac1321f6a4f2d7e5f
Source of Spectrum C-98-1819-13
Wiley ID 1229516