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

*Links on SpectraBase are not permalinks.

4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
SpectraBase Compound ID K6KJEPWpEgw
InChI InChI=1S/C25H17FN2O5S/c26-20-3-1-2-4-21(20)28-23(30)19(22(29)27-25(28)34)13-15-7-11-18(12-8-15)33-14-16-5-9-17(10-6-16)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,34)/b19-13-
InChIKey DWZCSLLHSBADOY-UYRXBGFRSA-N
Mol Weight 476.48 g/mol
Molecular Formula C25H17FN2O5S
Exact Mass 476.084221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID C57tkHP4EIe
Name 4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17FN2O5S
InChI InChI=1S/C25H17FN2O5S/c26-20-3-1-2-4-21(20)28-23(30)19(22(29)27-25(28)34)13-15-7-11-18(12-8-15)33-14-16-5-9-17(10-6-16)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,34)/b19-13-
InChIKey DWZCSLLHSBADOY-UYRXBGFRSA-N
Molecular Weight 476.478 g/mol
SMILES N1C(\C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(N(C1=S)c1c(F)cccc1)=O)=O
SPLASH splash10-000i-4900000000-a6e34668369d74f1080d
Synonyms 4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid 4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid 4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Wiley ID 1444916