| 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)
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| SpectraBase Spectrum ID | JhLS4tbHWDR |
|---|---|
| Name | 5-Hydroxymethylfurfural |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | GCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cssc.202200430 |
| Molecular Weight | 126.111 g/mol |
| SMILES | OCc1oc(cc1)C=O |
| SPLASH | splash10-00mo-9300000000-8ddd94cbee89c3497583 |
| Source of Spectrum | CSC-15-SM5-A |
| Wiley ID | 1873346 |