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4-Chloro-3,5-dimethylphenol, o-ethoxycarbonyl-

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4-Chloro-3,5-dimethylphenol, o-ethoxycarbonyl-
SpectraBase Compound ID 4Z3dsJryoTl
InChI InChI=1S/C11H13ClO3/c1-4-14-11(13)15-9-5-7(2)10(12)8(3)6-9/h5-6H,4H2,1-3H3
InChIKey JUTTVNUCOYVVQV-UHFFFAOYSA-N
Mol Weight 228.67 g/mol
Molecular Formula C11H13ClO3
Exact Mass 228.055322 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ZRrkK6dD3b
Name 4-Chloro-3,5-dimethylphenol, o-ethoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.055321976 u
Formula C11H13ClO3
InChI InChI=1S/C11H13ClO3/c1-4-14-11(13)15-9-5-7(2)10(12)8(3)6-9/h5-6H,4H2,1-3H3
InChIKey JUTTVNUCOYVVQV-UHFFFAOYSA-N
Molecular Weight 228.675 g/mol
SMILES CC1=CC(OC(OCC)=O)=CC(=C1Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859318