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Boerhadiffusene [2',6','6'-trimethgylcyclohex-1'-enyl)-11-(3'',3''-dimethylcyclohexyl)-4,8-dimethylundec-1-ene]
SpectraBase Compound ID He5lmYJEgZs
InChI InChI=1S/C30H54/c1-24(15-9-18-27-19-12-21-29(4,5)23-27)13-8-14-25(2)16-10-20-28-26(3)17-11-22-30(28,6)7/h10,20,24-25,27H,8-9,11-19,21-23H2,1-7H3/b20-10+
InChIKey CULXOYWCXZXOLD-KEBDBYFISA-N
Mol Weight 414.8 g/mol
Molecular Formula C30H54
Exact Mass 414.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqBlMbiKH1g
Name Boerhadiffusene [2',6','6'-trimethgylcyclohex-1'-enyl)-11-(3'',3''-dimethylcyclohexyl)-4,8-dimethylundec-1-ene]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.422551739 u
Formula C30H54
InChI InChI=1S/C30H54/c1-24(15-9-18-27-19-12-21-29(4,5)23-27)13-8-14-25(2)16-10-20-28-26(3)17-11-22-30(28,6)7/h10,20,24-25,27H,8-9,11-19,21-23H2,1-7H3/b20-10+
InChIKey CULXOYWCXZXOLD-KEBDBYFISA-N
Molecular Weight 414.762 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\CC(CCCC(CCCC1CC(C)(C)CCC1)C)C