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2-Methyl-3-(p-methoxyphenyl)propanal
SpectraBase Compound ID 7TPPeJhox7V
InChI InChI=1S/C11H14O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey VLFBSPUPYFTTNF-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DucX0x4lljf
Name Hydrocinnamaldehyde
CAS Registry Number 5462-06-6
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 178.099379689 u
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey VLFBSPUPYFTTNF-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
Number of Peaks 50
RI1 1467
RI2 1145
RI3 1565
RI4 1527
SMILES c1c(ccc(c1)CC(C=O)C)OC
SPLASH splash10-00di-3900000000-83f3fa979652d831b2dd
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-methoxy- alpha-methyl-
Wiley ID LM_FFNSC3_1317