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

*Links on SpectraBase are not permalinks.

2-[2'-Phenoxathiinyl]cinchoninic acid

View entire compound with spectra: 1 NMR

2-[2'-Phenoxathiinyl]cinchoninic acid
SpectraBase Compound ID 5UCYkF5II8h
InChI InChI=1S/C22H13NO3S/c24-22(25)15-12-17(23-16-6-2-1-5-14(15)16)13-9-10-19-21(11-13)27-20-8-4-3-7-18(20)26-19/h1-12H,(H,24,25)
InChIKey OBRQLQGOTFKZMU-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C22H13NO3S
Exact Mass 371.061614 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 68VlsesXdHI
Name 2-[2'-Phenoxathiinyl]cinchoninic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.061614454 u
Formula C22H13NO3S
InChI InChI=1S/C22H13NO3S/c24-22(25)15-12-17(23-16-6-2-1-5-14(15)16)13-9-10-19-21(11-13)27-20-8-4-3-7-18(20)26-19/h1-12H,(H,24,25)
InChIKey OBRQLQGOTFKZMU-UHFFFAOYSA-N
Molecular Weight 371.410 g/mol
SMILES C(O)(=O)C1=CC(C2=CC=3SC4=C(C=CC=C4)OC3C=C2)=NC=2C1=CC=CC2