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2-[(6Z)-1,1-diketo-4-tosyl-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]acetic acid methyl ester
SpectraBase Compound ID 4emrtsvlX51
InChI InChI=1S/C16H21NO6S2/c1-13-5-7-14(8-6-13)25(21,22)17-9-3-4-10-24(19,20)15(12-17)11-16(18)23-2/h3-8,15H,9-12H2,1-2H3/b4-3-
InChIKey VNEZYKZTRGCZOL-ARJAWSKDSA-N
Mol Weight 387.47 g/mol
Molecular Formula C16H21NO6S2
Exact Mass 387.08103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAUguGPZzXi
Name 2-[(6Z)-1,1-diketo-4-tosyl-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]acetic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO6S2
InChI InChI=1S/C16H21NO6S2/c1-13-5-7-14(8-6-13)25(21,22)17-9-3-4-10-24(19,20)15(12-17)11-16(18)23-2/h3-8,15H,9-12H2,1-2H3/b4-3-
InChIKey VNEZYKZTRGCZOL-ARJAWSKDSA-N
Molecular Weight 387.465 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)C\C=C/CS(C1CC(=O)OC)(=O)=O
SPLASH splash10-0a4i-0930000000-f1b4191bea3bc6411c8a
Source of Spectrum F-69-2754-6
Synonyms 2-[(6Z)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]acetic acid methyl ester methyl 2-[(6Z)-1,1-dioxo-4-(p-tolylsulfonyl)-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]acetate methyl 2-[(6Z)-4-(4-methylphenyl)sulfonyl-1,1-bis(oxidanylidene)-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]ethanoate methyl 2-[(6Z)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-2,3,5,8-tetrahydro-1,4-thiazocin-2-yl]acetate
Wiley ID 1594905