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

*Links on SpectraBase are not permalinks.
4-{5-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 7b9GkPAWcuZ
InChI InChI=1S/C18H12N4O4S2/c1-27-18-21-28-17-20-15(23)12(14(19)22(17)18)8-11-6-7-13(26-11)9-2-4-10(5-3-9)16(24)25/h2-8,19H,1H3,(H,24,25)/b12-8-,19-14?
InChIKey SKNWLPQKCTVJJV-GHZHVEGCSA-N
Mol Weight 412.44 g/mol
Molecular Formula C18H12N4O4S2
Exact Mass 412.029997 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 36LPXwugP4S
Name 4-{5-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.029997226 u
Formula C18H12N4O4S2
InChI InChI=1S/C18H12N4O4S2/c1-27-18-21-28-17-20-15(23)12(14(19)22(17)18)8-11-6-7-13(26-11)9-2-4-10(5-3-9)16(24)25/h2-8,19H,1H3,(H,24,25)/b12-8-,19-14?
InChIKey SKNWLPQKCTVJJV-GHZHVEGCSA-N
Molecular Weight 412.438 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_128
Solvent DMSO-d6
Source Vendor ID: NMR/12259785