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3-(Hydroxyphenylmethyl)-2,2,3-trimethyloctan-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-(Hydroxyphenylmethyl)-2,2,3-trimethyloctan-4-one
SpectraBase Compound ID Dsc8q3Lybrb
InChI InChI=1S/C18H28O2/c1-6-7-13-15(19)18(5,17(2,3)4)16(20)14-11-9-8-10-12-14/h8-12,16,20H,6-7,13H2,1-5H3
InChIKey WPTSLNGESIFXSS-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 ABc38pFoy7h
Name 3-(Hydroxyphenylmethyl)-2,2,3-trimethyloctan-4-one
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/c1-6-7-13-15(19)18(5,17(2,3)4)16(20)14-11-9-8-10-12-14/h8-12,16,20H,6-7,13H2,1-5H3
InChIKey WPTSLNGESIFXSS-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES CC(C)(C)C(C)(C(CCCC)=O)C(C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933801