| SpectraBase Spectrum ID |
5Wqd59p99ge |
| Name |
3-Furancarboxylic acid |
| CAS Registry Number |
488-93-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
112.016043986 u |
| Formula |
C5H4O3 |
| InChI |
InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey |
IHCCAYCGZOLTEU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
112.084 g/mol |
| Nominal Mass |
112 u |
| Quality |
1000 |
| Retention Index |
1309 |
| SMILES |
OC(C1=COC=C1)=O |
| SPLASH |
splash10-03dj-9500000000-24a46c77065f9d25baf5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
furan-3-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032163 |
