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Methyl 2-hydroxy-3-octyl-4-methyl-6-(2'-thienyl)-benzoate
SpectraBase Compound ID LF6UNizoBW2
InChI InChI=1S/C21H28O3S/c1-4-5-6-7-8-9-11-16-15(2)14-17(18-12-10-13-25-18)19(20(16)22)21(23)24-3/h10,12-14,22H,4-9,11H2,1-3H3
InChIKey COAMUAVLYQVFOY-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 3fhsFG4frjn
Name Methyl 2-hydroxy-3-octyl-4-methyl-6-(2'-thienyl)-benzoate
Alternate Name(s) Methyl 2-hydroxy-4-methyl-3-octyl-6-(thiophen-2-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3S
InChI InChI=1S/C21H28O3S/c1-4-5-6-7-8-9-11-16-15(2)14-17(18-12-10-13-25-18)19(20(16)22)21(23)24-3/h10,12-14,22H,4-9,11H2,1-3H3
InChIKey COAMUAVLYQVFOY-UHFFFAOYSA-N
Molecular Weight 360.512 g/mol
SMILES Oc1c(c(cc(C)c1CCCCCCCC)-c1sccc1)C(=O)OC
SPLASH splash10-03e9-0079000000-8f0b97f9a30bcd96ec35
Source of Spectrum F5-6-3547-6e
Wiley ID 1733654