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2-(4,5-Dimethyl-2-methylenehex-4-enyl)-4,5-dimethylbenzyl acetate
SpectraBase Compound ID 8tTBV2M5D5a
InChI InChI=1S/C20H28O2/c1-13(2)15(4)8-14(3)9-19-10-16(5)17(6)11-20(19)12-22-18(7)21/h10-11H,3,8-9,12H2,1-2,4-7H3
InChIKey XBIJKTBDEUYDOY-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ek2B8BQ7My
Name 2-(4,5-Dimethyl-2-methylenehex-4-enyl)-4,5-dimethylbenzyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-13(2)15(4)8-14(3)9-19-10-16(5)17(6)11-20(19)12-22-18(7)21/h10-11H,3,8-9,12H2,1-2,4-7H3
InChIKey XBIJKTBDEUYDOY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 300.442 g/mol
SMILES c1(cc(c(cc1C)COC(C)=O)CC(CC(=C(C)C)C)=C)C
SPLASH splash10-0096-1960000000-0f05ac6ae3f857a1502b
Source of Spectrum J-77-8381-8d
Synonyms 2-(4,5-dimethyl-2-methylenehex-4-en-1-yl)-4,5-dimethylbenzyl acetate Acetic acid [2-(4,5-dimethyl-2-methylenehex-4-enyl)-4,5-dimethylphenyl]methyl ester [2-(4,5-dimethyl-2-methylidenehex-4-enyl)-4,5-dimethylphenyl]methyl acetate [2-(4,5-dimethyl-2-methylene-hex-4-enyl)-4,5-dimethyl-phenyl]methyl acetate [2-(4,5-dimethyl-2-methylidene-hex-4-enyl)-4,5-dimethyl-phenyl]methyl ethanoate
Wiley ID 1745210