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2-Furoic acid, phenethyl ester
SpectraBase Compound ID EW1PYYlzPLl
InChI InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKey QKPSYARWSBJEDY-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xaW5Sg5s4a
Name Furan-2-carboxylic acid <2-phenylethyl-> ester
Source of Sample SAFC Cat.no. W286508
CAS Registry Number 7149-32-8
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 216.078644243 u
Formula C13H12O3
InChI InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKey QKPSYARWSBJEDY-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
Number of Peaks 50
RI1 1720
RI2 1395
RI3 1978
RI4 1946
RI5 1678
SMILES c1(C(OCCc2ccccc2)=O)occc1
SPLASH splash10-0udi-6900000000-6df0b0f7ba7b610e7186
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 2-Furancarboxylic acid, 2-phenylethyl ester
Wiley ID LM_FFNSC3_667