| SpectraBase Spectrum ID |
53IxO8EO7U |
| Name |
Furfural |
| CAS Registry Number |
98-01-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (five reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
96.021129367 u |
| Formula |
C5H4O2 |
| InChI |
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| InChIKey |
HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
96.085 g/mol |
| Nominal Mass |
96 u |
| Quality |
999 |
| Retention Index |
825 |
| SMILES |
C=1(C=O)OC=CC1 |
| SPLASH |
splash10-0002-9000000000-219b3a2c0764026797c8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Furaldehyde
Furan-2-carbaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028914 |
