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Propanoic acid, 2,2-dimethyl-, 2-(1,1-dimethylethyl)-4-methylphenyl ester

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

Propanoic acid, 2,2-dimethyl-, 2-(1,1-dimethylethyl)-4-methylphenyl ester
SpectraBase Compound ID 2s0Sn7x7G9u
InChI InChI=1S/C16H24O2/c1-11-8-9-13(12(10-11)15(2,3)4)18-14(17)16(5,6)7/h8-10H,1-7H3
InChIKey HMTIEICAGVOMMG-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8LEpeG7dJ3E
Name Propanoic acid, 2,2-dimethyl-, 2-(1,1-dimethylethyl)-4-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-11-8-9-13(12(10-11)15(2,3)4)18-14(17)16(5,6)7/h8-10H,1-7H3
InChIKey HMTIEICAGVOMMG-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(OC1=C(C(C)(C)C)C=C(C=C1)C)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924137