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6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2-bromoethyl ester

View entire compound with spectra: 3 MS (GC)

6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2-bromoethyl ester
SpectraBase Compound ID EWQaEoONOxJ
InChI InChI=1S/C18H17BrN2O5S/c1-18(2)12(17(25)26-8-7-19)21-15(24)11(16(21)27-18)20-13(22)9-5-3-4-6-10(9)14(20)23/h3-6,11-12,16H,7-8H2,1-2H3
InChIKey VONRPZFYBPHPMF-UHFFFAOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C18H17BrN2O5S
Exact Mass 452.004156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dk20LvG4PC
Name 6-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 2-BROMOETHYL ESTER
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Formula C18H17N2O5SBr
InChI InChI=1S/C18H17BrN2O5S/c1-18(2)12(17(25)26-8-7-19)21-15(24)11(16(21)27-18)20-13(22)9-5-3-4-6-10(9)14(20)23/h3-6,11-12,16H,7-8H2,1-2H3
InChIKey VONRPZFYBPHPMF-UHFFFAOYSA-N
Molecular Weight 452.0037
SMILES c12C(N(C3C4SC(C(C(OCCBr)=O)N4C3=O)(C)C)C(c2cccc1)=O)=O
SPLASH splash10-00li-1940000000-96dd0514ce14cf5ab490
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany