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2-Benzothiazolylthioacetyl DL-threonine methyl ester
SpectraBase Compound ID 7kOoVVpCMnd
InChI InChI=1S/C14H16N2O4S2/c1-8(17)12(13(19)20-2)16-11(18)7-21-14-15-9-5-3-4-6-10(9)22-14/h3-6,8,12,17H,7H2,1-2H3,(H,16,18)
InChIKey DBDUJYVRYFNJRF-UHFFFAOYSA-N
Mol Weight 340.41 g/mol
Molecular Formula C14H16N2O4S2
Exact Mass 340.055149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JArzK3xRIwy
Name 2-Benzothiazolylthioacetyl DL-threonine methyl ester
Appearance Colorless crystals
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Formula C14H16N2O4S2
InChI InChI=1S/C14H16N2O4S2/c1-8(17)12(13(19)20-2)16-11(18)7-21-14-15-9-5-3-4-6-10(9)22-14/h3-6,8,12,17H,7H2,1-2H3,(H,16,18)
InChIKey DBDUJYVRYFNJRF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 340.412 g/mol
SMILES N(C(CSc1sc2ccccc2n1)=O)C(C(C)O)C(OC)=O
SPLASH splash10-015a-0930000000-5ac7e68d24851458b86d
Source of Spectrum ARK-2011-345-2b
Thin-Layer Chromatography Rf = 0.60 (Chloroform/Methanol, 95:5)
Wiley ID 1864519