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1-[1-tert-butyl-3-(4-oct-7-enylphenyl)-3-phenyl-propa-1,2-dienyl]-4-oct-7-enyl-benzene
SpectraBase Compound ID 3j4NB8q55Em
InChI InChI=1S/C41H52/c1-6-8-10-12-14-17-21-34-25-29-37(30-26-34)39(36-23-19-16-20-24-36)33-40(41(3,4)5)38-31-27-35(28-32-38)22-18-15-13-11-9-7-2/h6-7,16,19-20,23-32H,1-2,8-15,17-18,21-22H2,3-5H3
InChIKey STDVYAPVJIUMMA-UHFFFAOYSA-N
Mol Weight 544.9 g/mol
Molecular Formula C41H52
Exact Mass 544.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwPLNbwclPB
Name 1-[1-tert-butyl-3-(4-oct-7-enylphenyl)-3-phenyl-propa-1,2-dienyl]-4-oct-7-enyl-benzene
Alternate Name(s) 1-[4,4-dimethyl-1-(4-oct-7-enylphenyl)-1-phenyl-penta-1,2-dien-3-yl]-4-oct-7-enyl-benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H52
InChI InChI=1S/C41H52/c1-6-8-10-12-14-17-21-34-25-29-37(30-26-34)39(36-23-19-16-20-24-36)33-40(41(3,4)5)38-31-27-35(28-32-38)22-18-15-13-11-9-7-2/h6-7,16,19-20,23-32H,1-2,8-15,17-18,21-22H2,3-5H3
InChIKey STDVYAPVJIUMMA-UHFFFAOYSA-N
Molecular Weight 544.867 g/mol
SMILES C(=C=C(c1ccc(cc1)CCCCCCC=C)c1ccccc1)(C(C)(C)C)c1ccc(cc1)CCCCCCC=C
SPLASH splash10-000i-0000910000-502619a4072279f14238
Source of Spectrum H-2005-2328-16
Wiley ID 1562834