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[S-(1R*-trans)]-4,5-Dihydro-4-hydroxy-1-methyl-3-oxo-3H-1.lamda.4-isothiazole-4-acetic acid benzyl ester
SpectraBase Compound ID 2SzkNCuxWw
InChI InChI=1S/C13H15NO5S/c1-20(18)9-13(17,12(16)14-20)7-11(15)19-8-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3/t13-,20-/m1/s1
InChIKey NVYPAKTZRQCYGJ-ZUOKHONESA-N
Mol Weight 297.33 g/mol
Molecular Formula C13H15NO5S
Exact Mass 297.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LR4I27HDaB
Name [S-(1R*-trans)]-4,5-Dihydro-4-hydroxy-1-methyl-3-oxo-3H-1.lamda.4-isothiazole-4-acetic acid benzyl ester
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Formula C13H15NO5S
InChI InChI=1S/C13H15NO5S/c1-20(18)9-13(17,12(16)14-20)7-11(15)19-8-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3/t13-,20-/m1/s1
InChIKey NVYPAKTZRQCYGJ-ZUOKHONESA-N
Molecular Weight 297.325 g/mol
SMILES O[C@@]1(C[S@](=NC1=O)(=O)C)CC(=O)OCc1ccccc1
SPLASH splash10-03di-0190000000-bffdb1ad5611baebbb34
Source of Spectrum E1-35-4882-24
Synonyms [S-(1R*-trans)]-4,5-Dihydro-4-hydroxy-1-methyl-3-oxo-3H-1.lambda.4-isothiazole-4-acetic acid benzyl ester
Wiley ID 1574545