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4-Tert-butyl-2,6-diisopropylphenyl acetate

View entire compound with spectra: 1 FTIR

4-Tert-butyl-2,6-diisopropylphenyl acetate
SpectraBase Compound ID 5ZdYX7DRwM2
InChI InChI=1S/C18H28O2/c1-11(2)15-9-14(18(6,7)8)10-16(12(3)4)17(15)20-13(5)19/h9-12H,1-8H3
InChIKey QTOGSSNEDLLOHI-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6QSAW2QJNIi
Name 4-Tert-butyl-2,6-diisopropylphenyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-11(2)15-9-14(18(6,7)8)10-16(12(3)4)17(15)20-13(5)19/h9-12H,1-8H3
InChIKey QTOGSSNEDLLOHI-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C1=C(C=C(C(=C1C(C)C)OC(C)=O)C(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863274