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N-[2-(2-Formyl-4,5-dimethoxyphenyl)ethyl]acetamide

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N-[2-(2-Formyl-4,5-dimethoxyphenyl)ethyl]acetamide
SpectraBase Compound ID 6o7Ee5XUWOm
InChI InChI=1S/C13H17NO4/c1-9(16)14-5-4-10-6-12(17-2)13(18-3)7-11(10)8-15/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey UFHAIEQCJRKVEX-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FG1xC1tYkM5
Name N-[2-(2-Formyl-4,5-dimethoxyphenyl)ethyl]acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-9(16)14-5-4-10-6-12(17-2)13(18-3)7-11(10)8-15/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey UFHAIEQCJRKVEX-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES C1(=CC(OC)=C(C=C1CCNC(=O)C)OC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967539