| SpectraBase Spectrum ID |
3lqDM1ror14 |
| Name |
Tert-butyl 3-(2-ethoxyphenyl)propiolate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-5-17-13-9-7-6-8-12(13)10-11-14(16)18-15(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey |
NOQJCEZGSMPMAK-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
C(#CC(OC(C)(C)C)=O)C=1C(OCC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9423 |
