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N,N'-[(1S,2S)-Cyclohexane-1,2-diyl]bis[(4S)-4-(1,1-dimethylethyl)-4,5-dihydrooxazole-2-carboxamide]
SpectraBase Compound ID HqjT9BbFdMO
InChI InChI=1S/C22H36N4O4/c1-21(2,3)15-11-29-19(25-15)17(27)23-13-9-7-8-10-14(13)24-18(28)20-26-16(12-30-20)22(4,5)6/h13-16H,7-12H2,1-6H3,(H,23,27)(H,24,28)/t13-,14-,15+,16+/m0/s1
InChIKey JQCCQBABHMUJMN-CAOSSQGBSA-N
Mol Weight 420.6 g/mol
Molecular Formula C22H36N4O4
Exact Mass 420.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZCMO1cLHk
Name N,N'-[(1S,2S)-Cyclohexane-1,2-diyl]bis[(4S)-4-(1,1-dimethylethyl)-4,5-dihydrooxazole-2-carboxamide]
Alternate Name(s) (4S,4'S)-N,N'-((1S,2S)-cyclohexane-1,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole-2-carboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N4O4
InChI InChI=1S/C22H36N4O4/c1-21(2,3)15-11-29-19(25-15)17(27)23-13-9-7-8-10-14(13)24-18(28)20-26-16(12-30-20)22(4,5)6/h13-16H,7-12H2,1-6H3,(H,23,27)(H,24,28)/t13-,14-,15+,16+/m0/s1
InChIKey JQCCQBABHMUJMN-CAOSSQGBSA-N
Literature Reference DOI 10.1002_1522-2675(20011017)84_10_3178
Molecular Weight 420.554 g/mol
SMILES N(C(=O)C=1OC[C@@](N1)(C(C)(C)C)[H])[C@@]1([C@](CCCC1)(NC(=O)C=1OC[C@@](N1)(C(C)(C)C)[H])[H])[H]
SPLASH splash10-00di-5794800000-4efb4ad27c9152879146
Source of Spectrum H-84-3188-5b
Wiley ID 1787533