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(1R,2S)-N,N-Bis{[(1S,4R)-7,7-dimethyl-2-oxonorborn-1-yl]carbonyl}cyclohexane-1,2-diamine
SpectraBase Compound ID D4ozVCJvI75
InChI InChI=1S/C26H38N2O4/c1-8-28(22(32)25(23(2,3)4)13-10-9-11-19(25)29)16-15-27(7)21(31)26-14-12-18(17-20(26)30)24(26,5)6/h18H,8-14,17H2,1-7H3/t18-,25+,26+/m1/s1
InChIKey WOFJUDVMACMPHP-LROUJFHJSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H38N2O4
Exact Mass 442.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYMKgsOTB9D
Name (1R,2S)-N,N-Bis{[(1S,4R)-7,7-dimethyl-2-oxonorborn-1-yl]carbonyl}cyclohexane-1,2-diamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38N2O4
InChI InChI=1S/C26H38N2O4/c1-8-28(22(32)25(23(2,3)4)13-10-9-11-19(25)29)16-15-27(7)21(31)26-14-12-18(17-20(26)30)24(26,5)6/h18H,8-14,17H2,1-7H3/t18-,25+,26+/m1/s1
InChIKey WOFJUDVMACMPHP-LROUJFHJSA-N
Molecular Weight 442.600 g/mol
SMILES [C@]12(C(N(C#CN(C([C@]3(C(=O)CCCC3)C(C)(C)C)=O)CC)C)=O)C(C[C@](C1(C)C)(CC2)[H])=O
SPLASH splash10-03di-0090000000-d23219475f21949e6dbc
Source of Spectrum U1-2010-1717-16i
Wiley ID 1663472