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3-(4-(Tert-butyl)phenyl)-2-methylpropan-1-ol, o-acetyl

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

3-(4-(Tert-butyl)phenyl)-2-methylpropan-1-ol, o-acetyl
SpectraBase Compound ID LAq6Bd8yD3U
InChI InChI=1S/C16H24O2/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3
InChIKey FPBJKPITUGVFRM-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 Djpu7Af6n3d
Name 3-(4-(Tert-butyl)phenyl)-2-methylpropan-1-ol, o-acetyl
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/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3
InChIKey FPBJKPITUGVFRM-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES CC(=O)OCC(C)CC1=CC=C(C(C)(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803668