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Cubitene
SpectraBase Compound ID 5vJqXGHRm4T
InChI InChI=1S/C20H32/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(14-19)16(3)4/h8,11,19-20H,1,3,7,9-10,12-14H2,2,4-6H3/b17-8+,18-11+/t19-,20+/m0/s1
InChIKey CIJBIDDWTJGAAD-KDIHLRMYSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX6s3cKGMWI
Name Cubitene
CAS Registry Number 66723-19-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(14-19)16(3)4/h8,11,19-20H,1,3,7,9-10,12-14H2,2,4-6H3/b17-8+,18-11+/t19-,20+/m0/s1
InChIKey CIJBIDDWTJGAAD-KDIHLRMYSA-N
Molecular Weight 272.476 g/mol
Number of Peaks 50
RI1 1882
SMILES C1\C(=C\C[C@](C[C@](CC\C(=C\C1)C)(C(=C)C)[H])(C(C)=C)[H])C
SPLASH splash10-05mo-9600000000-2e90fc58ce064b85cb8b
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,5-Cyclododecadiene, 1,5-dimethyl-8,10-bis(1-methylethenyl)-
Wiley ID LM_FFNSC3_2471