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Ethyl 3-[(chloroacetyl)amino]benzoate

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Ethyl 3-[(chloroacetyl)amino]benzoate
SpectraBase Compound ID AyhRlm1ABcJ
InChI InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey GWRKWJKNWBWCPD-UHFFFAOYSA-N
Mol Weight 241.67 g/mol
Molecular Formula C11H12ClNO3
Exact Mass 241.050571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BS35dVChw5I
Name Ethyl 3-[(chloroacetyl)amino]benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.050570947 u
Formula C11H12ClNO3
InChI InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey GWRKWJKNWBWCPD-UHFFFAOYSA-N
Molecular Weight 241.674 g/mol
SMILES C(NC1=CC(C(OCC)=O)=CC=C1)(CCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922775