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Oxalic acid, monoamide, N-(2-chlorobenzyl)-, isobutyl ester

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Oxalic acid, monoamide, N-(2-chlorobenzyl)-, isobutyl ester
SpectraBase Compound ID 5qLY13FUhMm
InChI InChI=1S/C13H16ClNO3/c1-9(2)8-18-13(17)12(16)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey VXHLJQDMUURCNL-UHFFFAOYSA-N
Mol Weight 269.73 g/mol
Molecular Formula C13H16ClNO3
Exact Mass 269.081871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID cojYyk4OmY
Name Oxalic acid, monoamide, N-(2-chlorobenzyl)-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.081871076 u
Formula C13H16ClNO3
InChI InChI=1S/C13H16ClNO3/c1-9(2)8-18-13(17)12(16)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey VXHLJQDMUURCNL-UHFFFAOYSA-N
SMILES C(C(=O)NCC1=C(C=CC=C1)Cl)(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867703