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2-(tosylamino)pent-4-ynoic acid methyl ester
SpectraBase Compound ID IKCapnL0iD8
InChI InChI=1S/C13H15NO4S/c1-4-5-12(13(15)18-3)14-19(16,17)11-8-6-10(2)7-9-11/h1,6-9,12,14H,5H2,2-3H3
InChIKey APKXEPNOMLHZAN-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C13H15NO4S
Exact Mass 281.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQXjbs59kgG
Name 2-(tosylamino)pent-4-ynoic acid methyl ester
Alternate Name(s) 2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester Methyl 2-(p-tolylsulfonylamino)pent-4-ynoate Methyl 2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate
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Formula C13H15NO4S
InChI InChI=1S/C13H15NO4S/c1-4-5-12(13(15)18-3)14-19(16,17)11-8-6-10(2)7-9-11/h1,6-9,12,14H,5H2,2-3H3
InChIKey APKXEPNOMLHZAN-UHFFFAOYSA-N
Molecular Weight 281.326 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OC)CC#C
SPLASH splash10-0006-9370000000-0b133dba3b1a0a736da1
Source of Spectrum K-2002-625-18
Wiley ID 1580911