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2-[(4-methylphenyl)sulfonylamino]-5-thiophen-2-yl-4-pentynoic acid methyl ester
SpectraBase Compound ID AdkZdS7Oflz
InChI InChI=1S/C17H17NO4S2/c1-13-8-10-15(11-9-13)24(20,21)18-16(17(19)22-2)7-3-5-14-6-4-12-23-14/h4,6,8-12,16,18H,7H2,1-2H3
InChIKey PPYHJVXESNXQSC-UHFFFAOYSA-N
Mol Weight 363.45 g/mol
Molecular Formula C17H17NO4S2
Exact Mass 363.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ohhog13UV1
Name 2-[(4-methylphenyl)sulfonylamino]-5-thiophen-2-yl-4-pentynoic acid methyl ester
Alternate Name(s) 5-(2-Thienyl)-2-(tosylamino)pent-4-ynoic acid methyl ester Methyl 2-(p-tolylsulfonylamino)-5-(2-thienyl)pent-4-ynoate Methyl 2-[(4-methylphenyl)sulfonylamino]-5-thiophen-2-yl-pent-4-ynoate
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Formula C17H17NO4S2
InChI InChI=1S/C17H17NO4S2/c1-13-8-10-15(11-9-13)24(20,21)18-16(17(19)22-2)7-3-5-14-6-4-12-23-14/h4,6,8-12,16,18H,7H2,1-2H3
InChIKey PPYHJVXESNXQSC-UHFFFAOYSA-N
Molecular Weight 363.446 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OC)CC#Cc1sccc1
SPLASH splash10-0a4l-5950000000-2e0f349917889808cfdc
Source of Spectrum K-2002-625-19
Wiley ID 1580908