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2-[1-[[2-(brosylamino)phenyl]thio]cyclopropyl]-2-chloro-acetic acid methyl ester
SpectraBase Compound ID 7WISHQGRVCa
InChI InChI=1S/C18H17BrClNO4S2/c1-25-17(22)16(20)18(10-11-18)26-15-5-3-2-4-14(15)21-27(23,24)13-8-6-12(19)7-9-13/h2-9,16,21H,10-11H2,1H3
InChIKey VMPNETGFJSBXFX-UHFFFAOYSA-N
Mol Weight 490.81 g/mol
Molecular Formula C18H17BrClNO4S2
Exact Mass 488.947091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZTnNKH27Dm
Name 2-[1-[[2-(brosylamino)phenyl]thio]cyclopropyl]-2-chloro-acetic acid methyl ester
Alternate Name(s) 2-[1-[[2-[(4-bromophenyl)sulfonylamino]phenyl]thio]cyclopropyl]-2-chloroacetic acid methyl ester Methyl 2-[1-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylcyclopropyl]-2-chloranyl-ethanoate Methyl 2-[1-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylcyclopropyl]-2-chloro-acetate
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Formula C18H17BrClNO4S2
InChI InChI=1S/C18H17BrClNO4S2/c1-25-17(22)16(20)18(10-11-18)26-15-5-3-2-4-14(15)21-27(23,24)13-8-6-12(19)7-9-13/h2-9,16,21H,10-11H2,1H3
InChIKey VMPNETGFJSBXFX-UHFFFAOYSA-N
Molecular Weight 490.814 g/mol
SMILES N(S(c1ccc(cc1)Br)(=O)=O)c1c(SC2(C(C(=O)OC)Cl)CC2)cccc1
SPLASH splash10-03ei-0760900000-b7a888202d1fbb6b280e
Source of Spectrum K1-2003-992-19
Wiley ID 1520834