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Dimethyl 2-(ethyl-1-cyanoethanoat-1-yl)-3-(triphenylphosphanylidene)butanedioate
SpectraBase Compound ID ISCINXTWwB1
InChI InChI=1S/C29H28NO6P/c1-4-36-27(31)24(20-30)25(28(32)34-2)26(29(33)35-3)37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-25H,4H2,1-3H3
InChIKey JUUASZJCGMBBEL-UHFFFAOYSA-N
Mol Weight 517.52 g/mol
Molecular Formula C29H28NO6P
Exact Mass 517.165425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo62yb75FY0
Name Dimethyl 2-(ethyl-1-cyanoethanoat-1-yl)-3-(triphenylphosphanylidene)butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28NO6P
InChI InChI=1S/C29H28NO6P/c1-4-36-27(31)24(20-30)25(28(32)34-2)26(29(33)35-3)37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-25H,4H2,1-3H3
InChIKey JUUASZJCGMBBEL-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 517.518 g/mol
SMILES C(C(C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C(OCC)=O)C#N)(=O)OC
SPLASH splash10-03dr-0790300000-b06324c4a1cb5210a0cc
Source of Spectrum ARK-2008-224-3d
Wiley ID 1869123