| SpectraBase Spectrum ID |
D5EB0xr7PMb |
| Name |
Ethyl 4-(4-methoxybenzyloxy)but-2-ynoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-3-18-14(15)5-4-10-17-11-12-6-8-13(16-2)9-7-12/h6-9H,3,10-11H2,1-2H3 |
| InChIKey |
BGBURXNRTAGXLC-UHFFFAOYSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C(C#CCOCC=1C=CC(=CC1)OC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963808 |
