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aaa(s)-4,6,8,10,16,18-Hexamethyldocos-11-ene

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aaa(s)-4,6,8,10,16,18-Hexamethyldocos-11-ene
SpectraBase Compound ID AdIyRh2J0sI
InChI InChI=1S/C28H56/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h14,18,23-28H,9-13,15-17,19-22H2,1-8H3/b18-14-/t23-,24+,25-,26-,27+,28+/m1/s1
InChIKey VXBNGAGCVGNKHD-NDGVSMGMSA-N
Mol Weight 392.8 g/mol
Molecular Formula C28H56
Exact Mass 392.438202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRuNvtrN5CN
Name aaa(S)-4,6,8,10,16,18-Hexamethyldocos-11-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.438201803 u
Formula C28H56
InChI InChI=1S/C28H56/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h14,18,23-28H,9-13,15-17,19-22H2,1-8H3/b18-14-/t23-,24+,25-,26-,27+,28+/m1/s1
InChIKey VXBNGAGCVGNKHD-NDGVSMGMSA-N
Molecular Weight 392.756 g/mol
SMILES C(\C=C/[C@](C[C@@](C[C@](C[C@@](CCC)(C)[H])(C)[H])(C)[H])(C)[H])CC[C@](C[C@](CCCC)(C)[H])(C)[H]