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Methyl 2-hydroxy-3-hexyl-4-propyl-6-(2'-thienyl)-benzoate
SpectraBase Compound ID C9OMRTU5X0C
InChI InChI=1S/C21H28O3S/c1-4-6-7-8-11-16-15(10-5-2)14-17(18-12-9-13-25-18)19(20(16)22)21(23)24-3/h9,12-14,22H,4-8,10-11H2,1-3H3
InChIKey ZAUNOPMCHBINPV-UHFFFAOYSA-N
Mol Weight 360.51 g/mol
Molecular Formula C21H28O3S
Exact Mass 360.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6q8CvkEi7hH
Name Methyl 2-hydroxy-3-hexyl-4-propyl-6-(2'-thienyl)-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3S
InChI InChI=1S/C21H28O3S/c1-4-6-7-8-11-16-15(10-5-2)14-17(18-12-9-13-25-18)19(20(16)22)21(23)24-3/h9,12-14,22H,4-8,10-11H2,1-3H3
InChIKey ZAUNOPMCHBINPV-UHFFFAOYSA-N
Molecular Weight 360.512 g/mol
SMILES Oc1c(c(cc(CCC)c1CCCCCC)-c1sccc1)C(=O)OC
SPLASH splash10-08g0-0096000000-970d888a96a1fa0ce97d
Source of Spectrum F5-6-3548-6m
Synonyms Methyl 3-hexyl-2-hydroxy-4-propyl-6-(thiophen-2-yl)benzoate
Wiley ID 1733646