For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[4-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester
SpectraBase Compound ID DxySzNUI3JU
InChI InChI=1S/C19H15Cl2F3N2O4S/c1-9-7-10(18(29,16(28)30-2)19(22,23)24)3-6-14(9)25-17(31)26-15(27)12-5-4-11(20)8-13(12)21/h3-8,29H,1-2H3,(H2,25,26,27,31)
InChIKey YPHKJTHYLVJHBK-UHFFFAOYSA-N
Mol Weight 495.3 g/mol
Molecular Formula C19H15Cl2F3N2O4S
Exact Mass 494.008168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A0OWenyWLZQ
Name 2-[4-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester
Alternate Name(s) 2-[4-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester Methyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate Methyl 2-[4-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-3-methyl-phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl2F3N2O4S
InChI InChI=1S/C19H15Cl2F3N2O4S/c1-9-7-10(18(29,16(28)30-2)19(22,23)24)3-6-14(9)25-17(31)26-15(27)12-5-4-11(20)8-13(12)21/h3-8,29H,1-2H3,(H2,25,26,27,31)
InChIKey YPHKJTHYLVJHBK-UHFFFAOYSA-N
Molecular Weight 495.300 g/mol
SMILES N(C(NC(c1c(cc(cc1)Cl)Cl)=O)=S)c1c(cc(C(C(F)(F)F)(C(=O)OC)O)cc1)C
SPLASH splash10-00fs-2910100000-ba8a0afa720973fad245
Wiley ID 1454453