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Methyl (1R,3S)-1-(4-tert-Butylphenyl)-3-hydroxybutane-1-sulfonate
SpectraBase Compound ID 9YhrYj9fkdw
InChI InChI=1S/C15H24O4S/c1-11(16)10-14(20(17,18)19-5)12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14,16H,10H2,1-5H3/t11-,14+/m0/s1
InChIKey AGSVHXFVUFEUPO-SMDDNHRTSA-N
Mol Weight 300.41 g/mol
Molecular Formula C15H24O4S
Exact Mass 300.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2uLUfAHQLC
Name Methyl (1R,3S)-1-(4-tert-Butylphenyl)-3-hydroxybutane-1-sulfonate
Alternate Name(s) (1R,3S)-1-(4-tert-butylphenyl)-3-hydroxy-1-butanesulfonic acid (1R,3S)-1-(4-tert-butylphenyl)-3-hydroxy-butane-1-sulfonic acid methyl ester Methyl (1R,3S)-1-(4-tert-butylphenyl)-3-oxidanyl-butane-1-sulfonate
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Formula C15H24O4S
InChI InChI=1S/C15H24O4S/c1-11(16)10-14(20(17,18)19-5)12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14,16H,10H2,1-5H3/t11-,14+/m0/s1
InChIKey AGSVHXFVUFEUPO-SMDDNHRTSA-N
Molecular Weight 300.413 g/mol
SMILES O[C@](C[C@@](S(=O)(=O)OC)(c1ccc(cc1)C(C)(C)C)[H])(C)[H]
SPLASH splash10-08fr-3900000000-5bff690f6e50161f033c
Source of Spectrum C5-2004-592-3
Wiley ID 1616658