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1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (S)-
SpectraBase Compound ID 6LDsKfHR0Ja
InChI InChI=1S/C12H18O5S/c1-9-4-6-10(7-5-9)18(15,16)17-8-11(13)12(2,3)14/h4-7,11,13-14H,8H2,1-3H3/t11-/m0/s1
InChIKey QAAVLHVZKTUTCM-NSHDSACASA-N
Mol Weight 274.33 g/mol
Molecular Formula C12H18O5S
Exact Mass 274.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iopRqPaxbe
Name 1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (S)-
CAS Registry Number 86547-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5S
InChI InChI=1S/C12H18O5S/c1-9-4-6-10(7-5-9)18(15,16)17-8-11(13)12(2,3)14/h4-7,11,13-14H,8H2,1-3H3/t11-/m0/s1
InChIKey QAAVLHVZKTUTCM-NSHDSACASA-N
Molecular Weight 274.331 g/mol
SMILES OC([C@](COS(c1ccc(cc1)C)(=O)=O)(O)[H])(C)C
SPLASH splash10-0a4u-9500000000-168337796cf3aeb2b2ce
Source of Spectrum H-66-821-0
Synonyms 4-Methylbenzenesulfonic acid[(2S)-2,3-dihydroxy-3-methyl-butyl]ester [(2S)-2,3-dihydro-3-methylbutyl]ester of p-toluolsulfonic acid [(2S)-2,3-dihydroxy-3-methyl-butyl]4-methylbenzenesulfonate [(2S)-3-methyl-2,3-bis(oxidanyl)butyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S)-2,3-dihydroxy-3-methylbutyl] ester [(2S)-2,3-dihydroxy-3-methylbutyl] 4-methylbenzenesulfonate [(2S)-2,3-dihydroxy-3-methyl-butyl] 4-methylbenzenesulfonate [(2S)-3-methyl-2,3-bis(oxidanyl)butyl] 4-methylbenzenesulfonate
Wiley ID 1277749