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2-[allyl(tosyl)amino]-5-bromo-benzoic acid ethyl ester
SpectraBase Compound ID 678xX56BbOE
InChI InChI=1S/C19H20BrNO4S/c1-4-12-21(26(23,24)16-9-6-14(3)7-10-16)18-11-8-15(20)13-17(18)19(22)25-5-2/h4,6-11,13H,1,5,12H2,2-3H3
InChIKey YSWKHFCVGKRAGL-UHFFFAOYSA-N
Mol Weight 438.34 g/mol
Molecular Formula C19H20BrNO4S
Exact Mass 437.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Pq5pjTndG7
Name 2-[allyl(tosyl)amino]-5-bromo-benzoic acid ethyl ester
Alternate Name(s) 5-Bromo-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid ethyl ester Ethyl 2-[allyl(p-tolylsulfonyl)amino]-5-bromo-benzoate Ethyl 5-bromanyl-2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoate Ethyl 5-bromo-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoate
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Formula C19H20BrNO4S
InChI InChI=1S/C19H20BrNO4S/c1-4-12-21(26(23,24)16-9-6-14(3)7-10-16)18-11-8-15(20)13-17(18)19(22)25-5-2/h4,6-11,13H,1,5,12H2,2-3H3
InChIKey YSWKHFCVGKRAGL-UHFFFAOYSA-N
Molecular Weight 438.336 g/mol
SMILES c1(N(S(c2ccc(cc2)C)(=O)=O)CC=C)c(C(=O)OCC)cc(cc1)Br
SPLASH splash10-00s6-9278000000-001d5bbe303ba2be0ce5
Source of Spectrum KC-57-4101-22
Wiley ID 1624057