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4-Chloro-3-ethylphenol, o-(N-propyloxycarbonyl)-

View entire compound with spectra: 1 FTIR

4-Chloro-3-ethylphenol, o-(N-propyloxycarbonyl)-
SpectraBase Compound ID CvBunHvEIFU
InChI InChI=1S/C12H15ClO3/c1-3-7-15-12(14)16-10-5-6-11(13)9(4-2)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKey DLQASPRIXGXSFV-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 LIyr6zORJU1
Name 4-Chloro-3-ethylphenol, 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/c1-3-7-15-12(14)16-10-5-6-11(13)9(4-2)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKey DLQASPRIXGXSFV-UHFFFAOYSA-N
Molecular Weight 242.702 g/mol
SMILES C(C)C1=C(Cl)C=CC(=C1)OC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93165