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4-(benzenesulfonyl)-7-bromo-3-spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]carboxylic acid methyl ester
SpectraBase Compound ID 9nHu2L94njO
InChI InChI=1S/C18H16BrNO4S2/c1-24-17(21)16-18(9-10-18)25-15-11-12(19)7-8-14(15)20(16)26(22,23)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3
InChIKey DBCMVBIXIVZSKN-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 F2uGV5yYC
Name 4-(benzenesulfonyl)-7-bromo-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(9-10-18)25-15-11-12(19)7-8-14(15)20(16)26(22,23)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3
InChIKey DBCMVBIXIVZSKN-UHFFFAOYSA-N
Molecular Weight 454.353 g/mol
SMILES c1(S(N2C(C3(CC3)Sc3c2ccc(Br)c3)C(=O)OC)(=O)=O)ccccc1
SPLASH splash10-114i-0097600000-fe93e8e85840d9381ada
Source of Spectrum K1-2003-992-20
Synonyms 4-besyl-7-bromo-spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]-3-carboxylic acid methyl ester Methyl 4-(benzenesulfonyl)-7-bromo-spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]-3-carboxylate Methyl 7-bromanyl-4-(phenylsulfonyl)spiro[3H-1,4-benzothiazine-2,1'-cyclopropane]-3-carboxylate
Wiley ID 1520831