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Methyl 2-hydroxy-3-hexyl-4-(2'-thienyl)-6-(trifluoromethyl)-benzoate
SpectraBase Compound ID TbmuWfphCP
InChI InChI=1S/C19H21F3O3S/c1-3-4-5-6-8-12-13(15-9-7-10-26-15)11-14(19(20,21)22)16(17(12)23)18(24)25-2/h7,9-11,23H,3-6,8H2,1-2H3
InChIKey LOTQXILKGAGZBP-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C19H21F3O3S
Exact Mass 386.11635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQXZ3wnOo9T
Name Methyl 2-hydroxy-3-hexyl-4-(2'-thienyl)-6-(trifluoromethyl)-benzoate
Alternate Name(s) Methyl 3-hexyl-2-hydroxy-4-(thiophen-2-yl)-6-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21F3O3S
InChI InChI=1S/C19H21F3O3S/c1-3-4-5-6-8-12-13(15-9-7-10-26-15)11-14(19(20,21)22)16(17(12)23)18(24)25-2/h7,9-11,23H,3-6,8H2,1-2H3
InChIKey LOTQXILKGAGZBP-UHFFFAOYSA-N
Molecular Weight 386.429 g/mol
SMILES Oc1c(c(C(F)(F)F)cc(c1CCCCCC)-c1sccc1)C(=O)OC
SPLASH splash10-0550-0059000000-a2419e09165f663ac5ec
Source of Spectrum F5-6-3550-10d
Wiley ID 1733637