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UYCFWVSJDKOPQH-DTORHVGOSA-N
SpectraBase Compound ID L5UQBbs8JhJ
InChI InChI=1S/C11H18O4/c1-14-10(12)8-5-3-4-6-9(7-8)11(13)15-2/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKey UYCFWVSJDKOPQH-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 8WHpZNzEMcs
Name Dimethyl (1S,3R)-cycloheptane-1,3-dicarboxylate
CAS Registry Number 54905-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-14-10(12)8-5-3-4-6-9(7-8)11(13)15-2/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKey UYCFWVSJDKOPQH-DTORHVGOSA-N
Molecular Weight 214.261 g/mol
SMILES C([C@]1(C[C@@](C(=O)OC)(CCCC1)[H])[H])(=O)OC
SPLASH splash10-0002-9800000000-952377b7dba4a2bd826e
Source of Spectrum C-98-1819-13
Synonyms Dimethyl (1R,3S)-cycloheptane-1,3-dicarboxylate
Wiley ID 1213352