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

*Links on SpectraBase are not permalinks.
carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-ethyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID GGbtfZ5Jmz8
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,22)23)31-16-11-17(28)27(18(16)29)14-7-3-12(24)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey KNNQBDQWPUNFQK-UHFFFAOYSA-N
Mol Weight 579.79 g/mol
Molecular Formula C20H17ClF2IN3O3S
Exact Mass 578.969192 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 B0MFC4lStjk
Name 1-[4-[chloro(difluoro)methoxy]phenyl]-3-ethyl-2-[1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]isothiourea
Alternate Name(s) 1-[4-[chloro(difluoro)methoxy]phenyl]-3-ethyl-2-[1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethylcarbamimidothioic acid [1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl] ester [1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl] N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethylcarbamimidothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClF2IN3O3S
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,22)23)31-16-11-17(28)27(18(16)29)14-7-3-12(24)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey KNNQBDQWPUNFQK-UHFFFAOYSA-N
Molecular Weight 579.788 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccc(cc1)I)=O)=N/c1ccc(OC(F)(Cl)F)cc1)CC
SPLASH splash10-0a5i-9431000000-3df4dc7c3c2653e3c409
Wiley ID 1448174