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Butanedioic acid, 3-hydroxy-2,2-dimethyl-, 1-methyl ester, (S)-
SpectraBase Compound ID 7rsRaRbEWyw
InChI InChI=1S/C7H12O5/c1-7(2,6(11)12-3)4(8)5(9)10/h4,8H,1-3H3,(H,9,10)/t4-/m1/s1
InChIKey MWNYKRXVDPDCRM-SCSAIBSYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C7H12O5
Exact Mass 176.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BAE7Jf5GJr
Name Butanedioic acid, 3-hydroxy-2,2-dimethyl-, 1-methyl ester, (S)-
CAS Registry Number 82118-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O5
InChI InChI=1S/C7H12O5/c1-7(2,6(11)12-3)4(8)5(9)10/h4,8H,1-3H3,(H,9,10)/t4-/m1/s1
InChIKey MWNYKRXVDPDCRM-SCSAIBSYSA-N
Molecular Weight 176.168 g/mol
SMILES OC([C@](C(C(=O)OC)(C)C)(O)[H])=O
SPLASH splash10-0fdp-9300000000-197e5dc379ebf786fd92
Source of Spectrum H-65-350-0
Synonyms (2S)-2-hydroxy-4-methoxy-3,3-dimethyl-4-oxobutanoic acid 4-Methyl ester of (2S)-3,3-dimethylsuccinic acid
Wiley ID 1171935