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C-4-tert-Butyl-1-(4-tert-butylcyclohexenyl)cyclohexyl 4-nitrobenzoate
SpectraBase Compound ID 66mC20GUxMF
InChI InChI=1S/C27H39NO4/c1-25(2,3)20-9-11-22(12-10-20)27(17-15-21(16-18-27)26(4,5)6)32-24(29)19-7-13-23(14-8-19)28(30)31/h7-8,11,13-14,20-21H,9-10,12,15-18H2,1-6H3/t20?,21-,27-
InChIKey CHIIYJURDYBYIB-VWVKTNLVSA-N
Mol Weight 441.6 g/mol
Molecular Formula C27H39NO4
Exact Mass 441.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66lTQyWJ77w
Name C-4-tert-Butyl-1-(4-tert-butylcyclohexenyl)cyclohexyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO4
InChI InChI=1S/C27H39NO4/c1-25(2,3)20-9-11-22(12-10-20)27(17-15-21(16-18-27)26(4,5)6)32-24(29)19-7-13-23(14-8-19)28(30)31/h7-8,11,13-14,20-21H,9-10,12,15-18H2,1-6H3/t20?,21-,27-
InChIKey CHIIYJURDYBYIB-VWVKTNLVSA-N
Molecular Weight 441.612 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]2(C3=CCC(C(C)(C)C)CC3)CC[C@@](C(C)(C)C)(CC2)[H])=O)cc1
SPLASH splash10-0aor-8290000000-ac7eec5289d002ce82a8
Source of Spectrum KC-0-731-6
Synonyms 4-tert-Butyl-1-(4-tert-butyl-1-cyclohexen-1-yl)cyclohexyl 4-nitrobenzoate
Wiley ID 820609