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Dimethyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
SpectraBase Compound ID 5r8r8duFV0h
InChI InChI=1S/C27H23N2O4P/c1-32-26(30)24(20(18-28)19-29)25(27(31)33-2)34(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,1-2H3
InChIKey YLPOSLADBSFVLS-UHFFFAOYSA-N
Mol Weight 470.46 g/mol
Molecular Formula C27H23N2O4P
Exact Mass 470.139544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiExeOPqDOX
Name Dimethyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N2O4P
InChI InChI=1S/C27H23N2O4P/c1-32-26(30)24(20(18-28)19-29)25(27(31)33-2)34(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,1-2H3
InChIKey YLPOSLADBSFVLS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A or Finnigan-MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.d24
Molecular Weight 470.465 g/mol
SMILES COC(C(C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C#N)C#N)=O
SPLASH splash10-0a4i-1200900000-344c332b3f53f16f9a57
Source of Spectrum ARK-2008-223-3a
Wiley ID 1869120