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2-[1-(3,4,5-Trimethoxy-phenyl)-meth-(Z)-ylidene]-3-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-succinic acid 1-ethyl ester 4-(methoxycarbonyl-phenyl-methyl) ester

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

2-[1-(3,4,5-Trimethoxy-phenyl)-meth-(Z)-ylidene]-3-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-succinic acid 1-ethyl ester 4-(methoxycarbonyl-phenyl-methyl) ester
SpectraBase Compound ID FmTqaRMKmw4
InChI InChI=1S/C35H38O12/c1-9-46-33(36)24(15-21-17-26(39-2)31(43-6)27(18-21)40-3)25(16-22-19-28(41-4)32(44-7)29(20-22)42-5)34(37)47-30(35(38)45-8)23-13-11-10-12-14-23/h10-20,30H,9H2,1-8H3/b24-15-,25-16+
InChIKey AUGAIJMQCWDHSW-QTCLYGBFSA-N
Mol Weight 650.7 g/mol
Molecular Formula C35H38O12
Exact Mass 650.236327 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EYNS55xmK1k
Name 2-[1-(3,4,5-Trimethoxy-phenyl)-meth-(Z)-ylidene]-3-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-succinic acid 1-ethyl ester 4-(methoxycarbonyl-phenyl-methyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 650.236326652 u
Formula C35H38O12
InChI InChI=1S/C35H38O12/c1-9-46-33(36)24(15-21-17-26(39-2)31(43-6)27(18-21)40-3)25(16-22-19-28(41-4)32(44-7)29(20-22)42-5)34(37)47-30(35(38)45-8)23-13-11-10-12-14-23/h10-20,30H,9H2,1-8H3/b24-15-,25-16+
InChIKey AUGAIJMQCWDHSW-QTCLYGBFSA-N
SMILES C1(\C=C\(\C(C(OC(C(=O)OC)C2=CC=CC=C2)=O)=C/C2=CC(OC)=C(C(=C2)OC)OC)C(=O)OCC)=CC(OC)=C(C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881042