| SpectraBase Spectrum ID |
1YspfxMJoQi |
| Name |
3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-3-19-15(17)11-9-13-7-5-6-8-14(13)10-12-16(18)20-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
SIVXJKQVBZYBJP-UHFFFAOYSA-N |
| SMILES |
C(C#CC=1C(=CC=CC1)C#CC(=O)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951887 |
![3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester](/api/spectrum/1YspfxMJoQi/structure.png?h=300&w=458 "3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester")
