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1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl N-benzyl-N'-{4-[chloro(difluoro)methoxy]phenyl}imidothiocarbamate
SpectraBase Compound ID I1ysuVzg1WT
InChI InChI=1S/C25H19BrClF2N3O3S/c26-17-6-10-19(11-7-17)32-22(33)14-21(23(32)34)36-24(30-15-16-4-2-1-3-5-16)31-18-8-12-20(13-9-18)35-25(27,28)29/h1-13,21H,14-15H2,(H,30,31)
InChIKey XZRNYNUNNWRGPX-UHFFFAOYSA-N
Mol Weight 594.86 g/mol
Molecular Formula C25H19BrClF2N3O3S
Exact Mass 592.99871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tffxkVcXtK
Name 1-(4-Bromophenyl)-2,5-dioxo-3-pyrrolidinyl N-benzyl-N'-{4-[chloro(difluoro)methoxy]phenyl}imidothiocarbamate
Alternate Name(s) 1-Benzyl-2-[1-(4-bromo-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[4-(chloro-difluoro-methoxy)-phenyl]-isothiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19BrClF2N3O3S
InChI InChI=1S/C25H19BrClF2N3O3S/c26-17-6-10-19(11-7-17)32-22(33)14-21(23(32)34)36-24(30-15-16-4-2-1-3-5-16)31-18-8-12-20(13-9-18)35-25(27,28)29/h1-13,21H,14-15H2,(H,30,31)
InChIKey XZRNYNUNNWRGPX-UHFFFAOYSA-N
Molecular Weight 594.859 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccc(cc1)Br)=O)=N/c1ccc(OC(F)(F)Cl)cc1)Cc1ccccc1
SPLASH splash10-0006-9322000000-a8a6d37b83ceddbd2107
Wiley ID 1447993