For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Hydroxymethylfurfural
SpectraBase Compound ID 6vgE2q20d6d
InChI InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey NOEGNKMFWQHSLB-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LfoV1FYSXso
Name 5-(Hydroxymethyl)-2-furfural
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 126.031694050 u
Formula C6H6O3
InChI InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey NOEGNKMFWQHSLB-UHFFFAOYSA-N
Instrument Name VG-Autospec EQ
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.1991
Molecular Weight 126.111 g/mol
Number of Peaks 7
SMILES OCc1oc(cc1)C=O
SPLASH splash10-000g-9200000000-5c2ccc69b3878770346d
Source of Spectrum SFA-85-350-Table 2-15 (DOI: 10.1002/jsfa.1991)
Wiley ID 1840204