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2-(2,4-di-Tert-pentylphenoxy)butanoyl chloride

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2-(2,4-di-Tert-pentylphenoxy)butanoyl chloride
SpectraBase Compound ID AhTEB9zyxBc
InChI InChI=1S/C20H31ClO2/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3
InChIKey WHZZJRDDIPKYMV-UHFFFAOYSA-N
Mol Weight 338.92 g/mol
Molecular Formula C20H31ClO2
Exact Mass 338.201258 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JaiO0vvrAfd
Name 2-(2,4-di-Tert-pentylphenoxy)butanoyl chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.201257936 u
Formula C20H31ClO2
InChI InChI=1S/C20H31ClO2/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3
InChIKey WHZZJRDDIPKYMV-UHFFFAOYSA-N
Molecular Weight 338.919 g/mol
SMILES CCC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875063