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Diethyl 2-(acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 2-(acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID GB1AC8Ivvov
InChI InChI=1S/C36H36NO6P/c1-4-42-35(40)32(31(26(3)38)34(39)37-27-18-10-6-11-19-27)33(36(41)43-5-2)44(28-20-12-7-13-21-28,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-25,31-32H,4-5H2,1-3H3,(H,37,39)
InChIKey RUWNGOBUTSUXQP-UHFFFAOYSA-N
Mol Weight 609.7 g/mol
Molecular Formula C36H36NO6P
Exact Mass 609.228025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wGbaReRtZH
Name Diethyl 2-(acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.228024875 u
Formula C36H36NO6P
InChI InChI=1S/C36H36NO6P/c1-4-42-35(40)32(31(26(3)38)34(39)37-27-18-10-6-11-19-27)33(36(41)43-5-2)44(28-20-12-7-13-21-28,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-25,31-32H,4-5H2,1-3H3,(H,37,39)
InChIKey RUWNGOBUTSUXQP-UHFFFAOYSA-N
Molecular Weight 609.659 g/mol
SMILES C(C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1)C(=O)OCC)(C(C(NC=1C=CC=CC1)=O)C(=O)C)C(=O)OCC