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N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
SpectraBase Compound ID HvyI8AoyUic
InChI InChI=1S/C21H24ClN2O6PS/c1-6-27-31(26,28-7-2)17-18(32)15(12-23)16(13-8-10-14(22)11-9-13)29-19(17)24-20(25)30-21(3,4)5/h8-11H,6-7H2,1-5H3,(H,24,25)
InChIKey JOGQHPKOIKZZKD-UHFFFAOYSA-N
Mol Weight 498.92 g/mol
Molecular Formula C21H24ClN2O6PS
Exact Mass 498.078122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFEMlEOGFAi
Name N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-pyran-2-yl]carbamate tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClN2O6PS
InChI InChI=1S/C21H24ClN2O6PS/c1-6-27-31(26,28-7-2)17-18(32)15(12-23)16(13-8-10-14(22)11-9-13)29-19(17)24-20(25)30-21(3,4)5/h8-11H,6-7H2,1-5H3,(H,24,25)
InChIKey JOGQHPKOIKZZKD-UHFFFAOYSA-N
Molecular Weight 498.918 g/mol
SMILES N(C1=C(C(C(=C(c2ccc(cc2)Cl)O1)C#N)=S)P(=O)(OCC)OCC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9202100000-b45f6e5c70c44c8dc7f4
Source of Spectrum H1-47-253-6
Wiley ID 816132