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Carbamic acid, 3-chlorophenyl-, isobutyl ester

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Carbamic acid, 3-chlorophenyl-, isobutyl ester
SpectraBase Compound ID 8sJ5yGLnqn
InChI InChI=1S/C11H14ClNO2/c1-8(2)7-15-11(14)13-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey NKMKOFKGHVPMLE-UHFFFAOYSA-N
Mol Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Exact Mass 227.071306 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9o0HxUFvsK7
Name Carbamic acid, 3-chlorophenyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.071306393 u
Formula C11H14ClNO2
InChI InChI=1S/C11H14ClNO2/c1-8(2)7-15-11(14)13-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey NKMKOFKGHVPMLE-UHFFFAOYSA-N
Molecular Weight 227.691 g/mol
SMILES C1(=CC(=CC=C1)Cl)NC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896046