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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 7w2fRWK1zrU
Name 5-methyl-2-Furancarboxaldehyde
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 110.036779431 u
Formula C6H6O2
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey OUDFNZMQXZILJD-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 110.112 g/mol
Quality 531
SMILES C=1(OC(=CC1)C=O)C
SPLASH splash10-0nmi-7900000000-1dd8061e3417551c4f06
Source of Spectrum JAFC-70-SM9-9-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911514