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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

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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
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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Coe5YzF5Mxy
Name 3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-(mercaptomethyl)-4(3H)quinazolinone, S-ester with O,O-diethyl phosphorodithioate
Copyright Copyright © 2009-2024 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
Instrument Name Varian CFT-20
Sadtler NMR Number 39155M
Solvent CDCl3