| SpectraBase Spectrum ID |
2xSJ6ExEN0O |
| Name |
4,5-Dihydro-2-methyl-5-(1-methylethylidene)-3-furancarboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h5-6H2,1-4H3 |
| InChIKey |
DGDKLZWHXLGFDD-UHFFFAOYSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
C1C(=C(OC1=C(C)C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933932 |
