3-(4-Methoxypyrrolo[2,3-b]pyrid-2-yl)-2-[N-(triphenylphosphino)imino]propenic acid ethyl ester

SpectraBase Compound ID	17ImansLsSO
InChI	InChI=1S/C31H28N3O3P/c1-3-37-31(35)28(22-23-21-27-29(36-2)19-20-32-30(27)33-23)34-38(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22H,3H2,1-2H3,(H,32,33)/b28-22-
InChIKey	FHCOEPHLOOOUBC-SLMZUGIISA-N Google Search
Mol Weight	521.56 g/mol
Molecular Formula	C31H28N3O3P
Exact Mass	521.186829 g/mol

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SpectraBase Spectrum ID	LEPpnTyX0yH
Name	3-(4-Methoxypyrrolo[2,3-B]pyrid-2-yl)-2-[N-(triphenylphosphino)imino]propenic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	521.186828769 u
Formula	C31H28N3O3P
InChI	InChI=1S/C31H28N3O3P/c1-3-37-31(35)28(22-23-21-27-29(36-2)19-20-32-30(27)33-23)34-38(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22H,3H2,1-2H3,(H,32,33)/b28-22-
InChIKey	FHCOEPHLOOOUBC-SLMZUGIISA-N
Molecular Weight	521.557 g/mol
SMILES	C1(P(=N\C(=C/C=2NC3=NC=CC(=C3C2)OC)C(=O)OCC)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1