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

*Links on SpectraBase are not permalinks.
3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SpectraBase Compound ID A99K7Gb6FE0
InChI InChI=1S/C23H19F6N3O3S/c1-32(15-5-9-17(10-6-15)35-23(27,28)29)20(33)11-12-36-21-30-18(13-19(31-21)22(24,25)26)14-3-7-16(34-2)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKey KLDYVQBUVGQVKJ-UHFFFAOYSA-N
Mol Weight 531.47 g/mol
Molecular Formula C23H19F6N3O3S
Exact Mass 531.105132 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 5Y7WxE0KIhj
Name 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19F6N3O3S
InChI InChI=1S/C23H19F6N3O3S/c1-32(15-5-9-17(10-6-15)35-23(27,28)29)20(33)11-12-36-21-30-18(13-19(31-21)22(24,25)26)14-3-7-16(34-2)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKey KLDYVQBUVGQVKJ-UHFFFAOYSA-N
Molecular Weight 531.473 g/mol
SMILES C(c1nc(SCCC(N(c2ccc(OC(F)(F)F)cc2)C)=O)nc(c1)-c1ccc(cc1)OC)(F)(F)F
SPLASH splash10-000l-4692000000-0f71912d71f810c43131
Synonyms 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methyl-N-[4-(trifluoromethyloxy)phenyl]propanamide 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propionamide
Wiley ID 1443183