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1,2,3-Butanetriol, 3-methyl-, 1-benzoate, (S)-
SpectraBase Compound ID IVXf6r3Gh3o
InChI InChI=1S/C12H16O4/c1-12(2,15)10(13)8-16-11(14)9-6-4-3-5-7-9/h3-7,10,13,15H,8H2,1-2H3/t10-/m0/s1
InChIKey MFALLMAGMJRRMS-JTQLQIEISA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m5BsNkjYvt
Name 1,2,3-Butanetriol, 3-methyl-, 1-benzoate, (S)-
CAS Registry Number 86547-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2,15)10(13)8-16-11(14)9-6-4-3-5-7-9/h3-7,10,13,15H,8H2,1-2H3/t10-/m0/s1
InChIKey MFALLMAGMJRRMS-JTQLQIEISA-N
Molecular Weight 224.256 g/mol
SMILES OC([C@](COC(=O)c1ccccc1)(O)[H])(C)C
SPLASH splash10-0a4i-4900000000-50699c2449fb46449061
Source of Spectrum H-66-820-0
Synonyms (2S)-2,3-dihydroxy-3-methylbutyl benzoate [(2S)-2,3-dihydroxy-3-methylbutyl]ester of benzoic acid benzoic acid [(2S)-2,3-dihydroxy-3-methylbutyl] ester [(2S)-2,3-dihydroxy-3-methylbutyl] benzoate [(2S)-2,3-dihydroxy-3-methyl-butyl] benzoate [(2S)-3-methyl-2,3-bis(oxidanyl)butyl] benzoate
Wiley ID 1224909