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N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
SpectraBase Compound ID Cqe06eawia7
InChI InChI=1S/C23H28ClN2O6PS/c1-13(2)31-33(28,32-14(3)4)19-20(34)17(12-25)18(15-8-10-16(24)11-9-15)29-21(19)26-22(27)30-23(5,6)7/h8-11,13-14H,1-7H3,(H,26,27)
InChIKey PUUZVOAUFFINJJ-UHFFFAOYSA-N
Mol Weight 526.97 g/mol
Molecular Formula C23H28ClN2O6PS
Exact Mass 526.109422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LG1W6AwQPw6
Name N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28ClN2O6PS
InChI InChI=1S/C23H28ClN2O6PS/c1-13(2)31-33(28,32-14(3)4)19-20(34)17(12-25)18(15-8-10-16(24)11-9-15)29-21(19)26-22(27)30-23(5,6)7/h8-11,13-14H,1-7H3,(H,26,27)
InChIKey PUUZVOAUFFINJJ-UHFFFAOYSA-N
Molecular Weight 526.972 g/mol
SMILES N(C1=C(P(OC(C)C)(OC(C)C)=O)C(C(=C(c2ccc(cc2)Cl)O1)C#N)=S)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9200010000-7f789db0f4eb0de7eeb8
Source of Spectrum H1-47-254-6
Synonyms N-[6-(4-chlorophenyl)-5-cyano-3-diisopropoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-pyran-2-yl]carbamate tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-diisopropoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate
Wiley ID 816131