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Methyl (1R)-1-(4-tert-Butylphenyl)-3-hydroxy-3-methylbutane-1-sulfonate
SpectraBase Compound ID LxmNeTaEHGb
InChI InChI=1S/C16H26O4S/c1-15(2,3)13-9-7-12(8-10-13)14(11-16(4,5)17)21(18,19)20-6/h7-10,14,17H,11H2,1-6H3/t14-/m1/s1
InChIKey KRVQKQBGPZQGHW-CQSZACIVSA-N
Mol Weight 314.44 g/mol
Molecular Formula C16H26O4S
Exact Mass 314.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cc3OX6mGexZ
Name Methyl (1R)-1-(4-tert-Butylphenyl)-3-hydroxy-3-methylbutane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4S
InChI InChI=1S/C16H26O4S/c1-15(2,3)13-9-7-12(8-10-13)14(11-16(4,5)17)21(18,19)20-6/h7-10,14,17H,11H2,1-6H3/t14-/m1/s1
InChIKey KRVQKQBGPZQGHW-CQSZACIVSA-N
Molecular Weight 314.440 g/mol
SMILES OC(C[C@@](S(=O)(=O)OC)(c1ccc(cc1)C(C)(C)C)[H])(C)C
SPLASH splash10-08fr-3900000000-3cd0aebb978d0416a299
Source of Spectrum C5-2004-593-3
Synonyms Methyl (1R)-1-(4-tert-butylphenyl)-3-hydroxy-3-methyl-1-butanesulfonate
Wiley ID 1616656