| SpectraBase Spectrum ID |
5GKSC0wW2MF |
| Name |
Methyl 2-furoate |
| CAS Registry Number |
611-13-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
126.031694050 u |
| Formula |
C6H6O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChIKey |
HDJLSECJEQSPKW-UHFFFAOYSA-N |
| Molecular Weight |
126.111 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
40 |
| SMILES |
C(OC)(=O)c1ccco1 |
| SPLASH |
splash10-0002-9100000000-ec7e49c4cdfedda9de63 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001862 |
