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3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-2-(MERCAPTOMETHYL)-4(3H)-QUINAZOLINONE, S-ESTER WITH O,O-DIETHYLPHOSPHORODITHIOATE

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-2-(MERCAPTOMETHYL)-4(3H)-QUINAZOLINONE, S-ESTER WITH O,O-DIETHYLPHOSPHORODITHIOATE
SpectraBase Compound ID E5W5i3fT93F
InChI InChI=1S/C21H19F6N2O3PS2/c1-3-31-33(34,32-4-2)35-12-18-28-17-8-6-5-7-16(17)19(30)29(18)15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h5-11H,3-4,12H2,1-2H3
InChIKey DCAGVLQGUBRMKY-UHFFFAOYSA-N
Mol Weight 556.48 g/mol
Molecular Formula C21H19F6N2O3PS2
Exact Mass 556.047891 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GqaxRVm04NB
Name 3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-2-(MERCAPTOMETHYL)-4(3H)-QUINAZOLINONE, S-ESTER WITH O,O-DIETHYLPHOSPHORODITHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F6N2O3PS2
InChI InChI=1S/C21H19F6N2O3PS2/c1-3-31-33(34,32-4-2)35-12-18-28-17-8-6-5-7-16(17)19(30)29(18)15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h5-11H,3-4,12H2,1-2H3
InChIKey DCAGVLQGUBRMKY-UHFFFAOYSA-N
Melting Point 124C
Molecular Weight 556.49
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms QUINAZOLINONE, 4/3H/-, 3-/A,A,A,- A',A',A'-HEXAFLUORO-3,5-XYLYL/- 2-/MERCAPTOMETHYL/-, S-ESTER WITH O,O-DIETHYL PHOSPHORODITHIOATE