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Furfuryl heptanoate
SpectraBase Compound ID 8r3RSyOxZ6h
InChI InChI=1S/C12H18O3/c1-2-3-4-5-8-12(13)15-10-11-7-6-9-14-11/h6-7,9H,2-5,8,10H2,1H3
InChIKey VZRGLBPRLIGTPE-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 1vEkviausMp
Name Furfuryl heptanoate
Source of Sample SAFC Cat.no. W503304
CAS Registry Number 39481-28-2
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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/c1-2-3-4-5-8-12(13)15-10-11-7-6-9-14-11/h6-7,9H,2-5,8,10H2,1H3
InChIKey VZRGLBPRLIGTPE-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
Number of Peaks 50
RI1 1470
RI2 1148
RI3 1351
RI4 1311
SMILES c1(ccco1)COC(=O)CCCCCC
SPLASH splash10-001i-9000000000-9b72c658b56e77fa9d8d
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 Heptanoic acid, 2-furanylmethyl ester
Wiley ID LM_FFNSC3_161