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4-Chloro-3,5-dimethylphenol, o-(N-propyloxycarbonyl)-

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4-Chloro-3,5-dimethylphenol, o-(N-propyloxycarbonyl)-
SpectraBase Compound ID DvqmSD5VfSn
InChI InChI=1S/C12H15ClO3/c1-4-5-15-12(14)16-10-6-8(2)11(13)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKey UMLKTTXYXHGYSJ-UHFFFAOYSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EmEP2FU4iT3
Name 4-Chloro-3,5-dimethylphenol, o-(N-propyloxycarbonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.070972040 u
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-4-5-15-12(14)16-10-6-8(2)11(13)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKey UMLKTTXYXHGYSJ-UHFFFAOYSA-N
Molecular Weight 242.702 g/mol
SMILES CC1=CC(OC(OCCC)=O)=CC(=C1Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89543