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(p-Acetamidobenzylidene)malonic acid, diethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

(p-Acetamidobenzylidene)malonic acid, diethyl ester
SpectraBase Compound ID DMk3cqJvCjo
InChI InChI=1S/C16H19NO5/c1-4-21-15(19)14(16(20)22-5-2)10-12-6-8-13(9-7-12)17-11(3)18/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKey ZGKQMVWKFLYHAL-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3FSxmlVyzTn
Name (p-Acetamidobenzylidene)malonic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.126322711 u
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-4-21-15(19)14(16(20)22-5-2)10-12-6-8-13(9-7-12)17-11(3)18/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKey ZGKQMVWKFLYHAL-UHFFFAOYSA-N
SMILES N(C=1C=CC(=CC1)C=C(C(OCC)=O)C(OCC)=O)C(C)=O
Spectrum/Structure Validation Score (Raman) 0.922204