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Cuminyl alcohol, trimethylacetate

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

Cuminyl alcohol, trimethylacetate
SpectraBase Compound ID 1ytaTDggq0S
InChI InChI=1S/C15H22O2/c1-11(2)13-8-6-12(7-9-13)10-17-14(16)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey QFYNIOIKGAIVPA-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 Gz9J2Szpr75
Name Cuminyl alcohol, trimethylacetate
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/c1-11(2)13-8-6-12(7-9-13)10-17-14(16)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey QFYNIOIKGAIVPA-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(C)(C)C1=CC=C(C=C1)COC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962497