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Butanedioic acid, 3-hydroxy-2,2-dimethyl-, dimethyl ester, (S)-
SpectraBase Compound ID GSO2CRTyTDU
InChI InChI=1S/C8H14O5/c1-8(2,7(11)13-4)5(9)6(10)12-3/h5,9H,1-4H3/t5-/m1/s1
InChIKey KMZCJCTWTQSWKH-RXMQYKEDSA-N
Mol Weight 190.19 g/mol
Molecular Formula C8H14O5
Exact Mass 190.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP3vkPqINp5
Name Butanedioic acid, 3-hydroxy-2,2-dimethyl-, dimethyl ester, (S)-
Alternate Name(s) (S)-Dimethyl 2-hydroxy-3,3-dimethylsuccinate Dimethyl (3S)-3-hydroxy-2,2-dimethylbutanedioate Dimethyl ester of (S)-2-hydroxy-3,3-dimethylsuccinic acid
CAS Registry Number 68984-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O5
InChI InChI=1S/C8H14O5/c1-8(2,7(11)13-4)5(9)6(10)12-3/h5,9H,1-4H3/t5-/m1/s1
InChIKey KMZCJCTWTQSWKH-RXMQYKEDSA-N
Molecular Weight 190.195 g/mol
SMILES O[C@@](C(C(=O)OC)(C)C)(C(=O)OC)[H]
SPLASH splash10-0feg-9400000000-e31b2e17a59252a63a16
Source of Spectrum H-65-349-0
Wiley ID 1186181