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Furfural
SpectraBase Compound ID EPjiPOKasPv
InChI InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey HYBBIBNJHNGZAN-UHFFFAOYSA-N
Mol Weight 96.08 g/mol
Molecular Formula C5H4O2
Exact Mass 96.021129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IslAknZRQlL
Name Furfural
Source of Sample SAFC Cat.no. W248908
CAS Registry Number 98-01-1
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 96.021129367 u
Formula C5H4O2
InChI InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey HYBBIBNJHNGZAN-UHFFFAOYSA-N
Molecular Weight 96.085 g/mol
Number of Peaks 38
RI1 845
RI2 505
RI3 866
RI4 822
RI5 807
SMILES c1(occc1)C=O
SPLASH splash10-0002-9000000000-c076f92238c349b15d6b
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-Furancarboxaldehyde
Wiley ID LM_FFNSC3_1019