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3-(4-Methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid tert-butyl ester
SpectraBase Compound ID BJRxQsVtk1p
InChI InChI=1S/C18H21NO4S/c1-12-5-8-14(9-6-12)24(21,22)16-11-13-7-10-15(16)19(13)17(20)23-18(2,3)4/h5-11,13,15H,1-4H3
InChIKey DSEJXEOLOHIGIZ-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p0mH72YoPX
Name 3-(4-Methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid tert-butyl ester
Alternate Name(s) 3-Tosyl-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid tert-butyl ester tert-Butyl 3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate tert-Butyl 3-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
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Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-12-5-8-14(9-6-12)24(21,22)16-11-13-7-10-15(16)19(13)17(20)23-18(2,3)4/h5-11,13,15H,1-4H3
InChIKey DSEJXEOLOHIGIZ-UHFFFAOYSA-N
Molecular Weight 347.429 g/mol
SMILES C=1(S(c2ccc(cc2)C)(=O)=O)C2N(C(OC(C)(C)C)=O)C(C1)C=C2
SPLASH splash10-0aor-9000000000-00a6c6ed2db17271d533
Source of Spectrum J-63-3244-3
Wiley ID 1339988