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Di-tert-butyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
SpectraBase Compound ID 61L53QoN0eN
InChI InChI=1S/C33H35N2O4P/c1-32(2,3)38-30(36)28(24(22-34)23-35)29(31(37)39-33(4,5)6)40(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28H,1-6H3
InChIKey WLPMACKVGINGLL-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C33H35N2O4P
Exact Mass 554.233445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnmbfJ3Wv1c
Name Di-tert-butyl 2-(dicyanomethyl)-3-(triphenylphosphanylidene)butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35N2O4P
InChI InChI=1S/C33H35N2O4P/c1-32(2,3)38-30(36)28(24(22-34)23-35)29(31(37)39-33(4,5)6)40(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28H,1-6H3
InChIKey WLPMACKVGINGLL-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 554.627 g/mol
SMILES C(OC(C)(C)C)(C(C(C(=O)OC(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C#N)C#N)=O
SPLASH splash10-052r-7419400000-89edd9ad099b54a3f45d
Source of Spectrum ARK-2008-224-3c
Wiley ID 1869122