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5-Isopropyl-2-methylphenyl 2-methylbutanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Isopropyl-2-methylphenyl 2-methylbutanoate
SpectraBase Compound ID Jayv2Z9Z8Sq
InChI InChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h7-11H,6H2,1-5H3
InChIKey XNXYNZSDHGHXLD-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FTLOcU824V5
Name 5-Isopropyl-2-methylphenyl 2-methylbutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h7-11H,6H2,1-5H3
InChIKey XNXYNZSDHGHXLD-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C1(=CC=C(C(=C1)OC(C(CC)C)=O)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938165