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2-Pentanol, 4-methyl-4-phenyl-, acetate
SpectraBase Compound ID LMt6CRNhjHw
InChI InChI=1S/C14H20O2/c1-11(16-12(2)15)10-14(3,4)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKey MXIGGIZQUGDKAP-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2qP5mBO99c
Name 2-Pentanol, 4-methyl-4-phenyl-, acetate
Source of Sample Standard L'Oreal
CAS Registry Number 68083-58-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-11(16-12(2)15)10-14(3,4)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKey MXIGGIZQUGDKAP-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
Number of Peaks 50
RI1 1464
RI2 1143
SMILES C(C)(=O)OC(C)CC(C)(c1ccccc1)C
SPLASH splash10-00kf-7900000000-0ea1493100168a6dffff
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
Wiley ID LM_FFNSC3_3060