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(phenylmethyl) 7-(4-methylphenyl)sulfonyl-6-oxidanylidene-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylate
SpectraBase Compound ID KReci82tcXm
InChI InChI=1S/C21H19NO5S/c1-14-7-9-16(10-8-14)28(25,26)22-18-12-11-17(19(18)20(22)23)21(24)27-13-15-5-3-2-4-6-15/h2-11,18-19H,12-13H2,1H3
InChIKey ZVCBQKLBXLKAFI-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C21H19NO5S
Exact Mass 397.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24wlICYXms7
Name (phenylmethyl) 7-(4-methylphenyl)sulfonyl-6-oxidanylidene-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylate
Alternate Name(s) 6-keto-7-tosyl-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylic acid benzyl ester 7-(4-Methylphenyl)sulfonyl-6-oxo-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylic acid (phenylmethyl) ester benzyl 6-oxo-7-(p-tolylsulfonyl)-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylate benzyl 7-(4-methylphenyl)sulfonyl-6-oxo-7-azabicyclo[3.2.0]hept-3-ene-4-carboxylate
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Formula C21H19NO5S
InChI InChI=1S/C21H19NO5S/c1-14-7-9-16(10-8-14)28(25,26)22-18-12-11-17(19(18)20(22)23)21(24)27-13-15-5-3-2-4-6-15/h2-11,18-19H,12-13H2,1H3
InChIKey ZVCBQKLBXLKAFI-UHFFFAOYSA-N
Molecular Weight 397.445 g/mol
SMILES c1(S(N2C(=O)C3C2CC=C3C(OCc2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0udi-0290000000-c6a5ae0517840c524bcd
Source of Spectrum F-50-12062-18
Wiley ID 789886