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Ethyl vanillin propylene glycol acetal
SpectraBase Compound ID 48bKJPAUtYE
InChI InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKey IFUIILQWHYHIEK-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qPU8Yi60TV
Name Ethylvanillin propylene glycol acetal, trans-
CAS Registry Number 68527-76-4
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 224.104858991 u
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKey IFUIILQWHYHIEK-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
Number of Peaks 50
RI1 1744
RI2 1420
RI3 2067
RI4 2033
SMILES Oc1c(OCC)cc(cc1)C1OCC(O1)C
SPLASH splash10-0079-8930000000-1226373dfa40edcd042b
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 Phenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
Wiley ID LM_FFNSC3_3338