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Diethyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
SpectraBase Compound ID EHm6R4uaFiA
InChI InChI=1S/C29H27N2O4P/c1-3-34-28(32)26(22(20-30)21-31)27(29(33)35-4-2)36(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26H,3-4H2,1-2H3
InChIKey QAZUOELLPYNGGH-UHFFFAOYSA-N
Mol Weight 498.52 g/mol
Molecular Formula C29H27N2O4P
Exact Mass 498.170844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uLoCqgncp8
Name Diethyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N2O4P
InChI InChI=1S/C29H27N2O4P/c1-3-34-28(32)26(22(20-30)21-31)27(29(33)35-4-2)36(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26H,3-4H2,1-2H3
InChIKey QAZUOELLPYNGGH-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 498.519 g/mol
SMILES C(OC(C(C(C(=O)OCC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C#N)C#N)=O)C
SPLASH splash10-001i-0400900000-eb315b592bc9c1499618
Source of Spectrum ARK-2008-223-3b
Wiley ID 1869121