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3-Cyano-1-[2-(methoxycarbonyl)ethyl]-4,6-diphenyl-1,2-dihydrophosphorin 1-sulfide
SpectraBase Compound ID I9Qz3zO0BWN
InChI InChI=1S/C22H20NO2PS/c1-25-22(24)12-13-26(27)16-19(15-23)20(17-8-4-2-5-9-17)14-21(26)18-10-6-3-7-11-18/h2-11,14H,12-13,16H2,1H3
InChIKey SCNPMXQPAPTWQK-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H20NO2PS
Exact Mass 393.095237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YcE8THhEvb
Name 3-Cyano-1-[2-(methoxycarbonyl)ethyl]-4,6-diphenyl-1,2-dihydrophosphorin 1-sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20NO2PS
InChI InChI=1S/C22H20NO2PS/c1-25-22(24)12-13-26(27)16-19(15-23)20(17-8-4-2-5-9-17)14-21(26)18-10-6-3-7-11-18/h2-11,14H,12-13,16H2,1H3
InChIKey SCNPMXQPAPTWQK-UHFFFAOYSA-N
Molecular Weight 393.441 g/mol
SMILES C=1(P(CC(=C(C1)c1ccccc1)C#N)(=S)CCC(=O)OC)c1ccccc1
SPLASH splash10-01ox-0049000000-ffa59a74e068d9496e16
Source of Spectrum AJ-67-2793-18
Synonyms Methyl 3-(3-cyano-4,6-diphenyl-1-sulfido-1,2-dihydro-1-phosphorinyl)propanoate
Wiley ID 772920