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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 JMFKXcx1vMX
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 C18H17BrN2O5S
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 453.307 g/mol
SMILES C1(N2C(c3ccccc3C2=O)=O)C2SC(C)(C)C(N2C1=O)C(=O)OCCBr
SPLASH splash10-00li-1940000000-6ac2acee01ca3830a922
Synonyms 2-Bromoethyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 2-Bromoethyl 6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 2-Bromoethyl 6-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6-(1,3-dioxo-2-isoindolyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-bromoethyl ester 2-Bromoethyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 7-keto-3,3-dimethyl-6-phthalimido-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-bromoethyl ester
Wiley ID 1488391