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N-Cyclohexyl-10-[2-(1-(tert-butyloxycarbonyl)-2-phenylethyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer

View entire compound with spectra: 1 MS (GC)

N-Cyclohexyl-10-[2-(1-(tert-butyloxycarbonyl)-2-phenylethyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
SpectraBase Compound ID AkE71Sq9UjT
InChI InChI=1S/C29H44N2O4S/c1-27(2,3)35-26(32)24(18-21-12-8-6-9-13-21)30-25-19-22-16-17-29(25,28(22,4)5)20-36(33,34)31-23-14-10-7-11-15-23/h6,8-9,12-13,22-24,31H,7,10-11,14-20H2,1-5H3/b30-25+/t22-,24-,29-/m0/s1
InChIKey AILZOGTWMKFHMT-YFEPSFITSA-N
Mol Weight 516.7 g/mol
Molecular Formula C29H44N2O4S
Exact Mass 516.302179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3IDr0GqYxz
Name N-Cyclohexyl-10-[2-(1-(tert-butyloxycarbonyl)-2-phenylethyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
Alternate Name(s) (S)-2-[1-Cyclohexylsulfamoylmethyl-7,7-dimethyl-bicyclo[2.2.1]hept-(2E)-ylideneamino]-3-phenyl-propionic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44N2O4S
InChI InChI=1S/C29H44N2O4S/c1-27(2,3)35-26(32)24(18-21-12-8-6-9-13-21)30-25-19-22-16-17-29(25,28(22,4)5)20-36(33,34)31-23-14-10-7-11-15-23/h6,8-9,12-13,22-24,31H,7,10-11,14-20H2,1-5H3/b30-25+/t22-,24-,29-/m0/s1
InChIKey AILZOGTWMKFHMT-YFEPSFITSA-N
Molecular Weight 516.741 g/mol
SMILES N(S(C[C@@]12\C(=N\[C@](C(OC(C)(C)C)=O)(Cc3ccccc3)[H])C[C@@](C1(C)C)(CC2)[H])(=O)=O)C1CCCCC1
SPLASH splash10-0002-0390140000-ca536db1aae06dff3bbf
Source of Spectrum F-53-11149-7
Wiley ID 803315