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

*Links on SpectraBase are not permalinks.
o-[2-[(4-Bromophenyl)-carbamoyl]-5-chlorophenyl]-o,o-diethyl-phosphorothioate
SpectraBase Compound ID LGjauRKW1We
InChI InChI=1S/C17H18BrClNO4PS/c1-3-22-25(26,23-4-2)24-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey OOERWFDTNBGBBF-UHFFFAOYSA-N
Mol Weight 478.72 g/mol
Molecular Formula C17H18BrClNO4PS
Exact Mass 476.956607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HBIapzb1oLl
Name o-[2-[(4-Bromophenyl)-carbamoyl]-5-chlorophenyl]-o,o-diethyl-phosphorothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.956606932 u
Formula C17H18BrClNO4PS
InChI InChI=1S/C17H18BrClNO4PS/c1-3-22-25(26,23-4-2)24-16-11-13(19)7-10-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey OOERWFDTNBGBBF-UHFFFAOYSA-N
Molecular Weight 478.725 g/mol
SMILES C=1(Cl)C=CC(=C(OP(=S)(OCC)OCC)C1)C(=O)NC1=CC=C(C=C1)Br