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D-erythro-Pentaric acid, 2,4-dideoxy-3-C-(methoxycarbonyl)-4-methyl-, dimethyl ester
SpectraBase Compound ID 7G5vuHhjE81
InChI InChI=1S/C10H16O7/c1-10(14,9(13)17-4)6(8(12)16-3)5-7(11)15-2/h6,14H,5H2,1-4H3/t6-,10-/m0/s1
InChIKey BSRDIIWCMKLGHT-WKEGUHRASA-N
Mol Weight 248.23 g/mol
Molecular Formula C10H16O7
Exact Mass 248.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3NcaNoWfPK
Name D-erythro-Pentaric acid, 2,4-dideoxy-3-C-(methoxycarbonyl)-4-methyl-, dimethyl ester
Alternate Name(s) (2S,3S)-trimethylmethylcitrate 1,5-Dimethyl 2,3-dideoxy-3-(methoxycarbonyl)-4-C-methyl-D-threo-pentarate
CAS Registry Number 64937-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O7
InChI InChI=1S/C10H16O7/c1-10(14,9(13)17-4)6(8(12)16-3)5-7(11)15-2/h6,14H,5H2,1-4H3/t6-,10-/m0/s1
InChIKey BSRDIIWCMKLGHT-WKEGUHRASA-N
Molecular Weight 248.231 g/mol
SMILES O[C@@]([C@](C(=O)OC)(CC(=O)OC)[H])(C(=O)OC)C
SPLASH splash10-0a4i-2900000000-4a92cb6e19f427429899
Source of Spectrum SB-31-310-0
Wiley ID 1250512