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Vanillyl butyl ether
SpectraBase Compound ID LoeQHz16MSB
InChI InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKey VLDFMKOUUQYFGF-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMaMxxQcdto
Name Vanillyl butyl ether
Source of Sample SAFC Cat.no. W379603
CAS Registry Number 82654-98-6
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 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKey VLDFMKOUUQYFGF-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
Number of Peaks 50
RI1 1651
RI2 1329
RI3 1849
RI4 1815
SMILES Oc1ccc(cc1OC)COCCCC
SPLASH splash10-000i-4910000000-defcafda813ad02e6acc
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, 4-(butoxymethyl)-2-methoxy-
Wiley ID LM_FFNSC3_265