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7-[4-(N-4-tert-butylbenzoyl)amino-3,5-dimethylphenyl]-7-[4-N-(tert-butylcarbonyl)amino-3,5-dimethylphenyl]bicyclo[2.2.1]heptane

View entire compound with spectra: 1 MS (GC)

7-[4-(N-4-tert-butylbenzoyl)amino-3,5-dimethylphenyl]-7-[4-N-(tert-butylcarbonyl)amino-3,5-dimethylphenyl]bicyclo[2.2.1]heptane
SpectraBase Compound ID JqoN5nWYxqM
InChI InChI=1S/C39H50N2O2/c1-23-19-31(20-24(2)33(23)40-35(42)27-11-13-28(14-12-27)37(5,6)7)39(29-15-16-30(39)18-17-29)32-21-25(3)34(26(4)22-32)41-36(43)38(8,9)10/h11-14,19-22,29-30H,15-18H2,1-10H3,(H,40,42)(H,41,43)/t29-,30+,39-
InChIKey VRNFHNYTLCYMQW-JKWWJXHYSA-N
Mol Weight 578.8 g/mol
Molecular Formula C39H50N2O2
Exact Mass 578.387229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31ujAcQaBs
Name 7-[4-(N-4-tert-butylbenzoyl)amino-3,5-dimethylphenyl]-7-[4-N-(tert-butylcarbonyl)amino-3,5-dimethylphenyl]bicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H50N2O2
InChI InChI=1S/C39H50N2O2/c1-23-19-31(20-24(2)33(23)40-35(42)27-11-13-28(14-12-27)37(5,6)7)39(29-15-16-30(39)18-17-29)32-21-25(3)34(26(4)22-32)41-36(43)38(8,9)10/h11-14,19-22,29-30H,15-18H2,1-10H3,(H,40,42)(H,41,43)/t29-,30+,39-
InChIKey VRNFHNYTLCYMQW-JKWWJXHYSA-N
Molecular Weight 578.841 g/mol
SMILES N(c1c(cc(C2(c3cc(c(NC(C(C)(C)C)=O)c(c3)C)C)[C@]3(CC[C@@]2(CC3)[H])[H])cc1C)C)C(c1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-08i0-4400190000-db85edefd9a90ecd1195
Source of Spectrum QE-7-1174-4
Synonyms 4-tert-Butyl-N-[4-(7-{4-[(2,2-dimethylpropanoyl)amino]-3,5-dimethylphenyl}bicyclo[2.2.1]hept-7-yl)-2,6-dimethylphenyl]benzamide 7-[4-(N-4-tert-butylbenzoyl)amino-3,5-dimethylphenyl]-7'-[4-N-(tert-butylcarbonyl)amino-3,5-dimethylphenyl]bicyclo[2.2.1]heptane
Wiley ID 845451