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Heptanedioic acid, 3,5-dimethyl-, dimethyl ester, (R*,S*)-
SpectraBase Compound ID E6xmlkX5PRU
InChI InChI=1S/C11H20O4/c1-8(6-10(12)14-3)5-9(2)7-11(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9+
InChIKey LDHYBTBFJWCXQW-DTORHVGOSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VZ3YbRLqea
Name Heptanedioic acid, 3,5-dimethyl-, dimethyl ester, (R*,S*)-
Alternate Name(s) Dimethyl (3R,5S)-3,5-dimethylheptanedioate Dimethyl D,L-3,5-dimethylpimelate
CAS Registry Number 55409-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-8(6-10(12)14-3)5-9(2)7-11(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9+
InChIKey LDHYBTBFJWCXQW-DTORHVGOSA-N
Molecular Weight 216.277 g/mol
SMILES C(=O)(C[C@@](C[C@@](CC(=O)OC)(C)[H])(C)[H])OC
SPLASH splash10-000i-0900000000-fd63eb34a45af462a353
Source of Spectrum C-97-1898-0
Wiley ID 1215313