| SpectraBase Spectrum ID |
8HPQN1jVC5Y |
| Name |
5-(Hydroxymethyl)-2-furancarboxaldehyde |
| CAS Registry Number |
67-47-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.111 g/mol |
| Nominal Mass |
126 u |
| Quality |
1000 |
| Retention Index |
942 |
| SMILES |
OCC=1OC(C=O)=CC1 |
| SPLASH |
splash10-002b-9200000000-e68191e1d797cf9f0df5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(hydroxymethyl)furan-2-carbaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031221 |
