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Methyl 4-((2-Hexyl-4,5-dimethyl-1,4-cyclohexadien-1-yl)sulfanyl)benzoate
SpectraBase Compound ID 7mHsS1aKfHT
InChI InChI=1S/C22H30O2S/c1-5-6-7-8-9-19-14-16(2)17(3)15-21(19)25-20-12-10-18(11-13-20)22(23)24-4/h10-13H,5-9,14-15H2,1-4H3
InChIKey WHURSBHTKKRZKP-UHFFFAOYSA-N
Mol Weight 358.54 g/mol
Molecular Formula C22H30O2S
Exact Mass 358.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNLI72gZr8Q
Name Methyl 4-((2-Hexyl-4,5-dimethyl-1,4-cyclohexadien-1-yl)sulfanyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O2S
InChI InChI=1S/C22H30O2S/c1-5-6-7-8-9-19-14-16(2)17(3)15-21(19)25-20-12-10-18(11-13-20)22(23)24-4/h10-13H,5-9,14-15H2,1-4H3
InChIKey WHURSBHTKKRZKP-UHFFFAOYSA-N
Molecular Weight 358.540 g/mol
SMILES C(c1ccc(cc1)SC1=C(CC(=C(C1)C)C)CCCCCC)(=O)OC
SPLASH splash10-0a4i-0904000000-52efb47e620b73ebf2a8
Source of Spectrum F-69-630-2
Synonyms 4-[(2-hexyl-4,5-dimethyl-1-cyclohexa-1,4-dienyl)thio]benzoic acid methyl ester Methyl 4-(2-hexyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)sulfanylbenzoate Methyl 4-(2-hexyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate
Wiley ID 1594604