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N-tert-Butyl-10-[2-(1-(tert-butyloxycarbonyl)propyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
SpectraBase Compound ID 21HY11FVSIZ
InChI InChI=1S/C22H40N2O4S/c1-10-16(18(25)28-20(5,6)7)23-17-13-15-11-12-22(17,21(15,8)9)14-29(26,27)24-19(2,3)4/h15-16,24H,10-14H2,1-9H3/b23-17+/t15-,16-,22-/m0/s1
InChIKey WATGEXWRUXQPDJ-JJKCLCGSSA-N
Mol Weight 428.6 g/mol
Molecular Formula C22H40N2O4S
Exact Mass 428.270879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgAVmYsrvo
Name N-tert-Butyl-10-[2-(1-(tert-butyloxycarbonyl)propyl)imino-7,7-dimethylcyclo[2.2.1]heptyl)methyl]sulfonamide isomer
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Formula C22H40N2O4S
InChI InChI=1S/C22H40N2O4S/c1-10-16(18(25)28-20(5,6)7)23-17-13-15-11-12-22(17,21(15,8)9)14-29(26,27)24-19(2,3)4/h15-16,24H,10-14H2,1-9H3/b23-17+/t15-,16-,22-/m0/s1
InChIKey WATGEXWRUXQPDJ-JJKCLCGSSA-N
Molecular Weight 428.632 g/mol
SMILES N(S(C[C@]12\C(=N\[C@](C(OC(C)(C)C)=O)(CC)[H])C[C@@](C2(C)C)(CC1)[H])(=O)=O)C(C)(C)C
SPLASH splash10-01p9-0091400000-c56c37eff56d8efff374
Source of Spectrum F-53-11150-9
Synonyms (S)-2-[1-(tert-Butylsulfamoyl-methyl)-7,7-dimethyl-bicyclo[2.2.1]hept-2-ylideneamino]-butyric acid tert-butyl ester
Wiley ID 803313