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Ethyl 2-((4-bromo-N-(prop-2-ynyl)phenylsulfonamido)methyl)cycloprop-2-enecarboxylate
SpectraBase Compound ID J9SeaPwXPYP
InChI InChI=1S/C16H16BrNO4S/c1-3-9-18(11-12-10-15(12)16(19)22-4-2)23(20,21)14-7-5-13(17)6-8-14/h1,5-8,10,15H,4,9,11H2,2H3
InChIKey ZPIOMUAKTGDVIJ-UHFFFAOYSA-N
Mol Weight 398.27 g/mol
Molecular Formula C16H16BrNO4S
Exact Mass 396.998342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u2ZwHJBY8m
Name Ethyl 2-((4-bromo-N-(prop-2-ynyl)phenylsulfonamido)methyl)cycloprop-2-enecarboxylate
Alternate Name(s) Ethyl 2-((4-bromo-N-(prop-2-yn-1-yl)phenylsulfonamido)methyl)cycloprop-2-enecarboxylate 2-[[(4-bromophenyl)sulfonyl-prop-2-ynylamino]methyl]-1-cycloprop-2-enecarboxylic acid ethyl ester Ethyl 2-[[(4-bromophenyl)sulfonyl-prop-2-ynylamino]methyl]cycloprop-2-ene-1-carboxylate Ethyl 2-[[(4-bromophenyl)sulfonyl-prop-2-ynyl-amino]methyl]cycloprop-2-ene-1-carboxylate
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Formula C16H16BrNO4S
InChI InChI=1S/C16H16BrNO4S/c1-3-9-18(11-12-10-15(12)16(19)22-4-2)23(20,21)14-7-5-13(17)6-8-14/h1,5-8,10,15H,4,9,11H2,2H3
InChIKey ZPIOMUAKTGDVIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol101455c
Molecular Weight 398.271 g/mol
SMILES c1(S(N(CC=2C(C2)C(=O)OCC)CC#C)(=O)=O)ccc(cc1)Br
SPLASH splash10-0fvi-4930000000-c3898cef10dee6c5cfff
Source of Spectrum A1-12-4462/SMS15-1b
Wiley ID 1752431