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8,9-Dehydrothymol isobutyrate
SpectraBase Compound ID 112UNkCen6h
InChI InChI=1S/C14H18O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-8,10H,1H2,2-5H3
InChIKey BSAPRZRKFYAPEB-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24rXrR0fHcS
Name 8,9-Dehydrothymol isobutyrate
CAS Registry Number 38146-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-8,10H,1H2,2-5H3
InChIKey BSAPRZRKFYAPEB-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1099-1026(199711_12)12_6_387
Molecular Weight 218.296 g/mol
SMILES c1c(cc(OC(C(C)C)=O)c(C(=C)C)c1)C
SPLASH splash10-0002-2900000000-8332ca1820fc56be4354
Source of Spectrum FF-12-389-27
Synonyms Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethenyl)phenyl ester 5-Methyl-2-(prop-1-en-2-yl)phenyl isobutyrate 2-Methylpropanoic acid [5-methyl-2-(1-methylethenyl)phenyl] ester (5-methyl-2-prop-1-en-2-ylphenyl) 2-methylpropanoate (2-isopropenyl-5-methyl-phenyl) 2-methylpropanoate (5-methyl-2-prop-1-en-2-yl-phenyl) 2-methylpropanoate
Wiley ID 1775150