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4-(2-Chloroacetamido)-N-((2,3-dihydrobenzo[B][1,4]dioxin-2-yl)methyl)benzamide
SpectraBase Compound ID 3QNwH3MIi92
InChI InChI=1S/C18H17ClN2O4/c19-9-17(22)21-13-7-5-12(6-8-13)18(23)20-10-14-11-24-15-3-1-2-4-16(15)25-14/h1-8,14H,9-11H2,(H,20,23)(H,21,22)
InChIKey DTJGFDZEEHLTPQ-UHFFFAOYSA-N
Mol Weight 360.8 g/mol
Molecular Formula C18H17ClN2O4
Exact Mass 360.087685 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 60fAQZywbBS
Name 4-(2-Chloroacetamido)-N-((2,3-dihydrobenzo[B][1,4]dioxin-2-yl)methyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.087684731 u
Formula C18H17ClN2O4
InChI InChI=1S/C18H17ClN2O4/c19-9-17(22)21-13-7-5-12(6-8-13)18(23)20-10-14-11-24-15-3-1-2-4-16(15)25-14/h1-8,14H,9-11H2,(H,20,23)(H,21,22)
InChIKey DTJGFDZEEHLTPQ-UHFFFAOYSA-N
Molecular Weight 360.797 g/mol
SMILES C(C1=CC=C(C=C1)NC(CCl)=O)(=O)NCC1OC2=C(OC1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917885