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4-(4-bromophenyl)sulfonyl-3-spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]carboxylic acid methyl ester
SpectraBase Compound ID ClerV4U7PUu
InChI InChI=1S/C18H16BrNO4S2/c1-24-17(21)16-18(10-11-18)25-15-5-3-2-4-14(15)20(16)26(22,23)13-8-6-12(19)7-9-13/h2-9,16H,10-11H2,1H3
InChIKey OUSDNFJJMVVWLG-UHFFFAOYSA-N
Mol Weight 454.35 g/mol
Molecular Formula C18H16BrNO4S2
Exact Mass 452.970413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwFcbPXHa68
Name 4-(4-bromophenyl)sulfonyl-3-spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]carboxylic acid methyl ester
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Formula C18H16BrNO4S2
InChI InChI=1S/C18H16BrNO4S2/c1-24-17(21)16-18(10-11-18)25-15-5-3-2-4-14(15)20(16)26(22,23)13-8-6-12(19)7-9-13/h2-9,16H,10-11H2,1H3
InChIKey OUSDNFJJMVVWLG-UHFFFAOYSA-N
Molecular Weight 454.353 g/mol
SMILES c1(S(N2C(C3(CC3)Sc3c2cccc3)C(=O)OC)(=O)=O)ccc(cc1)Br
SPLASH splash10-0059-0951600000-183c3aa168aef8d0ff13
Source of Spectrum K1-2003-992-21
Synonyms 4-Brosylspiro[3H-1,4-benzothiazine-2,1'-cyclopropane]-3-carboxylic acid methyl ester Methyl 4-(4-bromophenyl)sulfonylspiro[3H-1,4-benzothiazine-2,1'-cyclopropane]-3-carboxylate
Wiley ID 1520829