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

*Links on SpectraBase are not permalinks.
4-[(Z)-(5-imino-2-(2-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-fluorobenzoate
SpectraBase Compound ID 3U3KLy9OTZ
InChI InChI=1S/C27H19FN4O4S/c1-15-5-3-4-6-19(15)25-31-32-23(29)20(24(33)30-27(32)37-25)13-16-7-12-21(22(14-16)35-2)36-26(34)17-8-10-18(28)11-9-17/h3-14,29H,1-2H3/b20-13-,29-23?
InChIKey WRIYNYRWDUMKJE-OHQAHJEGSA-N
Mol Weight 514.53 g/mol
Molecular Formula C27H19FN4O4S
Exact Mass 514.111104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4kS0iWAmhld
Name 4-[(Z)-(5-imino-2-(2-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-fluorobenzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.111104441 u
Formula C27H19FN4O4S
InChI InChI=1S/C27H19FN4O4S/c1-15-5-3-4-6-19(15)25-31-32-23(29)20(24(33)30-27(32)37-25)13-16-7-12-21(22(14-16)35-2)36-26(34)17-8-10-18(28)11-9-17/h3-14,29H,1-2H3/b20-13-,29-23?
InChIKey WRIYNYRWDUMKJE-OHQAHJEGSA-N
Molecular Weight 514.531 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_16
Solvent DMSO-d6
Source Vendor ID: NMR/12259660