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3-(4-Tert-butylphenyl)propanal
SpectraBase Compound ID I3BVtiVbZ1S
InChI InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
InChIKey FZJUFJKVIYFBSY-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8u7M6kGZtoV
Name Bourgeonal
Source of Sample Standard L'Oreal
CAS Registry Number 18127-01-0
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 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
InChIKey FZJUFJKVIYFBSY-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
Number of Peaks 50
RI1 1490
RI2 1169
RI3 1455
RI4 1415
SMILES CC(C)(C)c1ccc(cc1)CCC=O
SPLASH splash10-00pl-3900000000-f97249f4a8817842f015
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 Benzenepropanal, 4-(1,1-dimethylethyl)-
Wiley ID LM_FFNSC3_3011