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Ethyl 3-(3-chloropropyl)-2-hydroxy-4,6-dimethylbenzoate

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Ethyl 3-(3-chloropropyl)-2-hydroxy-4,6-dimethylbenzoate
SpectraBase Compound ID GSlDnL31N1Y
InChI InChI=1S/C14H19ClO3/c1-4-18-14(17)12-10(3)8-9(2)11(13(12)16)6-5-7-15/h8,16H,4-7H2,1-3H3
InChIKey PTBCOQILKKWBFU-UHFFFAOYSA-N
Mol Weight 270.76 g/mol
Molecular Formula C14H19ClO3
Exact Mass 270.102272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6qGhdgHM2c
Name Ethyl 3-(3-chloropropyl)-2-hydroxy-4,6-dimethylbenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.102272169 u
Formula C14H19ClO3
InChI InChI=1S/C14H19ClO3/c1-4-18-14(17)12-10(3)8-9(2)11(13(12)16)6-5-7-15/h8,16H,4-7H2,1-3H3
InChIKey PTBCOQILKKWBFU-UHFFFAOYSA-N
SMILES C(C=1C(=C(C(=CC1C)C)CCCCl)O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862112