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(1S,2R)-cycloheptane-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 2IcDaAQ9jII
InChI InChI=1S/C11H18O4/c1-14-10(12)8-6-4-3-5-7-9(8)11(13)15-2/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKey YBEGEOIYNAAKEL-DTORHVGOSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DlBt0amjQ
Name (1S,2R)-cycloheptane-1,2-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (1S,2R)-cycloheptane-1,2-dicarboxylate
CAS Registry Number 38312-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-14-10(12)8-6-4-3-5-7-9(8)11(13)15-2/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKey YBEGEOIYNAAKEL-DTORHVGOSA-N
Molecular Weight 214.261 g/mol
SMILES [C@]1([C@@](C(=O)OC)(CCCCC1)[H])(C(=O)OC)[H]
SPLASH splash10-0f7k-5900000000-60715e7fed1558db65b4
Source of Spectrum C-98-1819-13
Wiley ID 1213351