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5-(2-furanyl)-2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester
SpectraBase Compound ID IJsf3WVtiHa
InChI InChI=1S/C17H17NO5S/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 JADJWRZSZJVYQN-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqHnovmIyFX
Name 5-(2-furanyl)-2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester
Alternate Name(s) 5-(2-furyl)-2-(tosylamino)pent-4-ynoic acid methyl ester Methyl 5-(2-furyl)-2-(p-tolylsulfonylamino)pent-4-ynoate Methyl 5-(furan-2-yl)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate
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Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/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 JADJWRZSZJVYQN-UHFFFAOYSA-N
Molecular Weight 347.385 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OC)CC#Cc1occc1
SPLASH splash10-056u-8910000000-4180a0653e64d273b6a3
Source of Spectrum K-2002-625-19
Wiley ID 1580909