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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 AjBsCxWOVV4
Name 5-Methylfurfural
CAS Registry Number 620-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
SMILES C(=O)c1oc(C)cc1
SPLASH splash10-114i-9700000000-f36fbfef7aeb8c144833
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Furfural<5-methyl->
Wiley ID 1887397