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(3S,4R)-3,4-Dihydroxy-4-(3-methyl-1-benzothiophen-2-yl)butan-2-one
SpectraBase Compound ID LAuYnuzUzbM
InChI InChI=1S/C13H14O3S/c1-7-9-5-3-4-6-10(9)17-13(7)12(16)11(15)8(2)14/h3-6,11-12,15-16H,1-2H3/t11-,12-/m1/s1
InChIKey GPAIXOJIUFAWLU-VXGBXAGGSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17oHcubLtZs
Name (3S,4R)-3,4-Dihydroxy-4-(3-methyl-1-benzothiophen-2-yl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-7-9-5-3-4-6-10(9)17-13(7)12(16)11(15)8(2)14/h3-6,11-12,15-16H,1-2H3/t11-,12-/m1/s1
InChIKey GPAIXOJIUFAWLU-VXGBXAGGSA-N
Molecular Weight 250.312 g/mol
SMILES O[C@@]([C@](c1sc2ccccc2c1C)(O)[H])(C(=O)C)[H]
SPLASH splash10-0gxx-6930000000-43765775537373ac934a
Source of Spectrum F-68-4779-4b
Wiley ID 1708998