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

*Links on SpectraBase are not permalinks.

Benzamide, 5-bromo-2-diethylaminothiocarbonyloxy-N-(4-fluorophenyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzamide, 5-bromo-2-diethylaminothiocarbonyloxy-N-(4-fluorophenyl)-
SpectraBase Compound ID BNAWSuvtwDF
InChI InChI=1S/C18H18BrFN2O2S/c1-3-22(4-2)18(25)24-16-10-5-12(19)11-15(16)17(23)21-14-8-6-13(20)7-9-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKey QVCFIRASFZPHGH-UHFFFAOYSA-N
Mol Weight 425.32 g/mol
Molecular Formula C18H18BrFN2O2S
Exact Mass 424.02564 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 9Dpjf6EOMeO
Name Benzamide, 5-bromo-2-diethylaminothiocarbonyloxy-N-(4-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.025640163 u
Formula C18H18BrFN2O2S
InChI InChI=1S/C18H18BrFN2O2S/c1-3-22(4-2)18(25)24-16-10-5-12(19)11-15(16)17(23)21-14-8-6-13(20)7-9-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKey QVCFIRASFZPHGH-UHFFFAOYSA-N
Molecular Weight 425.316 g/mol
SMILES C=1(C(NC2=CC=C(C=C2)F)=O)C(OC(=S)N(CC)CC)=CC=C(C1)Br