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N-(1,3-Benzodioxol-5-ylmethyl)-2-cyanoacetamide

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

N-(1,3-Benzodioxol-5-ylmethyl)-2-cyanoacetamide
SpectraBase Compound ID KPh8ujghXE5
InChI InChI=1S/C11H10N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3,6-7H2,(H,13,14)
InChIKey PUFRJEPXMFFFFK-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C11H10N2O3
Exact Mass 218.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8bmIdISL5Xg
Name N-(1,3-Benzodioxol-5-ylmethyl)-2-cyanoacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.069142187 u
Formula C11H10N2O3
InChI InChI=1S/C11H10N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3,6-7H2,(H,13,14)
InChIKey PUFRJEPXMFFFFK-UHFFFAOYSA-N
Molecular Weight 218.212 g/mol
SMILES C(NC(CC#N)=O)C1=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948408