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4-sec-Butylphenol, o-ethoxycarbonyl-

View entire compound with spectra: 1 FTIR

4-sec-Butylphenol, o-ethoxycarbonyl-
SpectraBase Compound ID 1z7FJFpyHx7
InChI InChI=1S/C13H18O3/c1-4-10(3)11-6-8-12(9-7-11)16-13(14)15-5-2/h6-10H,4-5H2,1-3H3
InChIKey OTDWZHLRTASFAQ-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1hDswWLGA4n
Name 4-sec-Butylphenol, o-ethoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-10(3)11-6-8-12(9-7-11)16-13(14)15-5-2/h6-10H,4-5H2,1-3H3
InChIKey OTDWZHLRTASFAQ-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(CC)(C)C1=CC=C(C=C1)OC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875345