| SpectraBase Spectrum ID |
9e9PM4N8jcA |
| Name |
3-[2'-Phenylethylidene]-4-(ethoxycarbonyl)-5-methyl-2,3-dihydrofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-3-18-16(17)15-12(2)19-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3/b14-10- |
| InChIKey |
GUSUFZSDWZDYFW-UVTDQMKNSA-N |
| Molecular Weight |
258.317 g/mol |
| SMILES |
C=1(\C(=C/CC=2C=CC=CC2)COC1C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957374 |