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Methyl 2-(4-tolylsulfonylamino)hep-4-ynoate
SpectraBase Compound ID 1VxSlDVB4Xv
InChI InChI=1S/C15H19NO4S/c1-4-5-6-7-14(15(17)20-3)16-21(18,19)13-10-8-12(2)9-11-13/h8-11,14,16H,4,7H2,1-3H3
InChIKey UNALOSMPLKRMIO-UHFFFAOYSA-N
Mol Weight 309.38 g/mol
Molecular Formula C15H19NO4S
Exact Mass 309.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n2bzYCFZ3j
Name Methyl 2-(4-tolylsulfonylamino)hep-4-ynoate
Alternate Name(s) 2-[(4-methylphenyl)sulfonylamino]-4-heptynoic acid methyl ester Methyl 2-(p-tolylsulfonylamino)hept-4-ynoate Methyl 2-[(4-methylphenyl)sulfonylamino]hept-4-ynoate
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Formula C15H19NO4S
InChI InChI=1S/C15H19NO4S/c1-4-5-6-7-14(15(17)20-3)16-21(18,19)13-10-8-12(2)9-11-13/h8-11,14,16H,4,7H2,1-3H3
InChIKey UNALOSMPLKRMIO-UHFFFAOYSA-N
Molecular Weight 309.380 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OC)CC#CCC
SPLASH splash10-052f-9650000000-dabf182e8d9bda339481
Source of Spectrum K-2002-626-22
Wiley ID 1580906