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N-Cyclohexyl-10-[2-(1-(tert-butyloxycarbonyl)butyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
SpectraBase Compound ID JWkRjs495SI
InChI InChI=1S/C25H42N2O4S/c1-7-11-20(22(28)31-23(2,3)4)26-21-16-18-14-15-25(21,24(18,5)6)17-32(29,30)27-19-12-9-8-10-13-19/h7,18-20,27H,1,8-17H2,2-6H3/b26-21+/t18-,20+,25-/m0/s1
InChIKey HVSIGCVXUNKXRW-LIWIHPEZSA-N
Mol Weight 466.7 g/mol
Molecular Formula C25H42N2O4S
Exact Mass 466.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Mb3l0WzTQr
Name N-Cyclohexyl-10-[2-(1-(tert-butyloxycarbonyl)butyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
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Formula C25H42N2O4S
InChI InChI=1S/C25H42N2O4S/c1-7-11-20(22(28)31-23(2,3)4)26-21-16-18-14-15-25(21,24(18,5)6)17-32(29,30)27-19-12-9-8-10-13-19/h7,18-20,27H,1,8-17H2,2-6H3/b26-21+/t18-,20+,25-/m0/s1
InChIKey HVSIGCVXUNKXRW-LIWIHPEZSA-N
Molecular Weight 466.681 g/mol
SMILES N(S(C[C@]12\C(=N\[C@@](C(OC(C)(C)C)=O)(CC=C)[H])C[C@@](C2(C)C)(CC1)[H])(=O)=O)C1CCCCC1
SPLASH splash10-0002-0191200000-e8406b8a99018a26bfd2
Source of Spectrum F-53-11149-8
Synonyms (R)-2-[1-Cyclohexylsulfamoylmethyl-7,7-dimethyl-bicyclo[2.2.1]hept-(2E)-ylideneamino]-pent-4-enoic acid tert-butyl ester
Wiley ID 803316