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1-([(Dicyclohexylamino)sulfonyl]methyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SpectraBase Compound ID It90i3uzy54
InChI InChI=1S/C30H47NO4S/c1-29(2)23-15-16-30(29,27(19-23)35-28(32)26-18-21-13-14-22(26)17-21)20-36(33,34)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h13-14,21-27H,3-12,15-20H2,1-2H3/t21-,22+,23+,26-,27+,30+/m0/s1
InChIKey PBNOMVQPCNTYMT-LBMUFGPYSA-N
Mol Weight 517.8 g/mol
Molecular Formula C30H47NO4S
Exact Mass 517.32258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrvrG0ToF2Q
Name 1-([(Dicyclohexylamino)sulfonyl]methyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
Alternate Name(s) 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester [1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate [4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
CAS Registry Number 96303-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H47NO4S
InChI InChI=1S/C30H47NO4S/c1-29(2)23-15-16-30(29,27(19-23)35-28(32)26-18-21-13-14-22(26)17-21)20-36(33,34)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h13-14,21-27H,3-12,15-20H2,1-2H3/t21-,22+,23+,26-,27+,30+/m0/s1
InChIKey PBNOMVQPCNTYMT-LBMUFGPYSA-N
Molecular Weight 517.769 g/mol
SMILES C1CC(N(S(C[C@@]23[C@](OC(=O)[C@]4(C[C@]5(C=C[C@@]4(C5)[H])[H])[H])(C[C@@](CC2)(C3(C)C)[H])[H])(=O)=O)C2CCCCC2)CCC1
SPLASH splash10-0a5l-9411000000-5285999e3da8f758d6b4
Wiley ID 1485453