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Ethyl 6-phthalimido-2-carboethoxy-2-acetamino-4-hexenoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Ethyl 6-phthalimido-2-carboethoxy-2-acetamino-4-hexenoate
SpectraBase Compound ID 6dVGZr3JOtl
InChI InChI=1S/C21H24N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)/b9-8+
InChIKey USVWEIATDMKKJA-CMDGGOBGSA-N
Mol Weight 416.43 g/mol
Molecular Formula C21H24N2O7
Exact Mass 416.158351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kOU8NBgMS6
Name Ethyl 6-phthalimido-2-carboethoxy-2-acetamino-4-hexenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.158351114 u
Formula C21H24N2O7
InChI InChI=1S/C21H24N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)/b9-8+
InChIKey USVWEIATDMKKJA-CMDGGOBGSA-N
Molecular Weight 416.430 g/mol
SMILES C12=C(C=CC=C2)C(=O)N(C1=O)C\C=C\CC(C(=O)OCC)(NC(=O)C)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854868