| SpectraBase Spectrum ID |
Dm0ISxyYKI4 |
| Name |
3-Furancarboxylicacid,methyl ester |
| CAS Registry Number |
13129-23-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
126.031694050 u |
| Formula |
C6H6O3 |
| InChI |
InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3 |
| InChIKey |
ZKHQSQYLKSSYIP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.111 g/mol |
| Nominal Mass |
126 u |
| Quality |
955 |
| Retention Index |
904 |
| SMILES |
C1(C(OC)=O)=COC=C1 |
| SPLASH |
splash10-0002-9100000000-9a44710287610b9368a7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl furan-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024891 |
