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

*Links on SpectraBase are not permalinks.
2-[2-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoic acid
SpectraBase Compound ID HftotrGVZ4R
InChI InChI=1S/C19H13FN2O5S/c20-13-6-2-3-7-14(13)22-18(26)12(17(25)21-19(22)28)9-11-5-1-4-8-15(11)27-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,28)/b12-9-
InChIKey FPNHGTHBYBCJMF-XFXZXTDPSA-N
Mol Weight 400.38 g/mol
Molecular Formula C19H13FN2O5S
Exact Mass 400.052921 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 9du3oWPTSYr
Name 2-[2-[(Z)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13FN2O5S
InChI InChI=1S/C19H13FN2O5S/c20-13-6-2-3-7-14(13)22-18(26)12(17(25)21-19(22)28)9-11-5-1-4-8-15(11)27-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,28)/b12-9-
InChIKey FPNHGTHBYBCJMF-XFXZXTDPSA-N
Molecular Weight 400.380 g/mol
SMILES N1C(\C(=C\c2c(OCC(=O)O)cccc2)C(N(C1=S)c1c(F)cccc1)=O)=O
SPLASH splash10-00b9-7902000000-71540c07de6e3e006a4a
Synonyms 2-[2-[(Z)-[1-(2-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid 2-[2-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid 2-[2-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid
Wiley ID 1444915