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Methyl 3-(tert-Butyloxycarbonyl)amino-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
SpectraBase Compound ID ExVqcMIL3Cr
InChI InChI=1S/C20H26N2O6S/c1-12-6-8-13(9-7-12)29(25,26)22-14-10-11-15(22)17(16(14)18(23)27-5)21-19(24)28-20(2,3)4/h6-9,14-15H,10-11H2,1-5H3,(H,21,24)/t14-,15+/m1/s1
InChIKey GYEBAULQKMLWSM-CABCVRRESA-N
Mol Weight 422.5 g/mol
Molecular Formula C20H26N2O6S
Exact Mass 422.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0MQd6kNwEs
Name Methyl 3-(tert-Butyloxycarbonyl)amino-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Alternate Name(s) Methyl 3-[(tert-butoxycarbonyl)amino]-7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O6S
InChI InChI=1S/C20H26N2O6S/c1-12-6-8-13(9-7-12)29(25,26)22-14-10-11-15(22)17(16(14)18(23)27-5)21-19(24)28-20(2,3)4/h6-9,14-15H,10-11H2,1-5H3,(H,21,24)/t14-,15+/m1/s1
InChIKey GYEBAULQKMLWSM-CABCVRRESA-N
Molecular Weight 422.496 g/mol
SMILES N(C1=C([C@]2(CC[C@@]1(N2S(=O)(=O)c1ccc(cc1)C)[H])[H])C(=O)OC)C(=O)OC(C)(C)C
SPLASH splash10-000f-9842000000-f404a3681413b1df1bb1
Source of Spectrum E1-42-1434-5
Wiley ID 1552734