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4-Bromo-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
SpectraBase Compound ID 9YNjmSShu1j
InChI InChI=1S/C17H16BrNO6S2/c18-13-4-3-12(17(21)25-11-14(20)15-2-1-9-26-15)10-16(13)27(22,23)19-5-7-24-8-6-19/h1-4,9-10H,5-8,11H2
InChIKey HSJZEAYQPWJVNC-UHFFFAOYSA-N
Mol Weight 474.34 g/mol
Molecular Formula C17H16BrNO6S2
Exact Mass 472.960243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUHurruXGEz
Name 4-Bromo-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
Alternate Name(s) (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate (2-oxo-2-thiophen-2-ylethyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate 2-Oxo-2-(2-thienyl)ethyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate 4-Bromo-3-(4-morpholinylsulfonyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester [2-oxo-2-(2-thienyl)ethyl] 4-bromo-3-morpholinosulfonyl-benzoate
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Formula C17H16BrNO6S2
InChI InChI=1S/C17H16BrNO6S2/c18-13-4-3-12(17(21)25-11-14(20)15-2-1-9-26-15)10-16(13)27(22,23)19-5-7-24-8-6-19/h1-4,9-10H,5-8,11H2
InChIKey HSJZEAYQPWJVNC-UHFFFAOYSA-N
Molecular Weight 474.340 g/mol
SMILES C1OCCN(S(c2cc(C(OCC(c3sccc3)=O)=O)ccc2Br)(=O)=O)C1
SPLASH splash10-03di-9802000000-8b993a133eb115267247
Wiley ID 1461422