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N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide

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

N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide
SpectraBase Compound ID HynsA2DHdV
InChI InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey HBIYZYYNHWRQMC-UHFFFAOYSA-N
Mol Weight 213.62 g/mol
Molecular Formula C9H8ClNO3
Exact Mass 213.019271 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rjuupSFrw1
Name N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.019270819 u
Formula C9H8ClNO3
InChI InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey HBIYZYYNHWRQMC-UHFFFAOYSA-N
Molecular Weight 213.620 g/mol
SMILES C(Cl)C(=O)NC1=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951535