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4,4-Dimethyl-5-[3',8',12',16'-tetramethyldodeca-3',7',11',15',19-pentaenyl)-6-methylenecyclohexane
SpectraBase Compound ID IrwGzpk03zi
InChI InChI=1S/C33H54/c1-9-10-16-27(2)19-13-21-29(4)22-14-20-28(3)17-11-12-18-30(5)24-25-32-31(6)23-15-26-33(32,7)8/h9,17-19,22,32H,1,6,10-16,20-21,23-26H2,2-5,7-8H3/b27-19+,28-17+,29-22+,30-18+/t32-/m1/s1
InChIKey JOCMVFDBZOWUAD-KSOWHNQSSA-N
Mol Weight 450.8 g/mol
Molecular Formula C33H54
Exact Mass 450.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DnvFjydpQs
Name 4,4-Dimethyl-5-[3',8',12',16'-tetramethyldodeca-3',7',11',15',19-pentaenyl)-6-methylenecyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H54
InChI InChI=1S/C33H54/c1-9-10-16-27(2)19-13-21-29(4)22-14-20-28(3)17-11-12-18-30(5)24-25-32-31(6)23-15-26-33(32,7)8/h9,17-19,22,32H,1,6,10-16,20-21,23-26H2,2-5,7-8H3/b27-19+,28-17+,29-22+,30-18+/t32-/m1/s1
InChIKey JOCMVFDBZOWUAD-KSOWHNQSSA-N
Molecular Weight 450.795 g/mol
SMILES [C@@]1(C(=C)CCCC1(C)C)(CC\C(=C\CC\C=C\(CC\C=C\(CC\C=C\(CCC=C)C)C)C)C)[H]
SPLASH splash10-0a5a-9800100000-129708971150c34218f6
Source of Spectrum F5-7-1695-20
Wiley ID 1696449