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5-Methylfurfural
SpectraBase Compound ID LS4YMgSWtjr
InChI InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey OUDFNZMQXZILJD-UHFFFAOYSA-N
Mol Weight 110.11 g/mol
Molecular Formula C6H6O2
Exact Mass 110.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q3rx42gj6N
Name Furfural <5-methyl->
Source of Sample SAFC Cat.no. W270202
CAS Registry Number 620-02-0
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 110.036779431 u
Formula C6H6O2
InChI InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey OUDFNZMQXZILJD-UHFFFAOYSA-N
Molecular Weight 110.112 g/mol
Number of Peaks 46
RI1 960
RI2 635
SMILES C(c1ccc(o1)C)=O
SPLASH splash10-0nmi-6900000000-4e775800ef4507c89654
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, 5-methyl-
Wiley ID LM_FFNSC3_463