| SpectraBase Spectrum ID |
BKW5O67VeU3 |
| Name |
Ethyl 2-(bromomethyl)-4-ethoxy-2,5-dihydro-5-oxo-2-phenylfuran-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.025936642 u |
| Formula |
C16H17BrO5 |
| InChI |
InChI=1S/C16H17BrO5/c1-3-20-13-12(14(18)21-4-2)16(10-17,22-15(13)19)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 |
| InChIKey |
LYYZGCOAQYZZTJ-UHFFFAOYSA-N |
| Molecular Weight |
369.211 g/mol |
| SMILES |
C1(OC(C(=C1OCC)C(=O)OCC)(CBr)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979214 |
