| SpectraBase Spectrum ID |
1W62yanaBVw |
| Name |
(E)-Ethyl 3-(1-phenylpent-1-yn-3-yloxy)but-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.141244501 u |
| Formula |
C17H20O3 |
| InChI |
InChI=1S/C17H20O3/c1-4-16(12-11-15-9-7-6-8-10-15)20-14(3)13-17(18)19-5-2/h6-10,13,16H,4-5H2,1-3H3/b14-13+ |
| InChIKey |
LHYKLDPORBXDNT-BUHFOSPRSA-N |
| SMILES |
C(C#CC1=CC=CC=C1)(CC)O\C(=C\C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954911 |
