| SpectraBase Spectrum ID |
9nC2SPaoVAx |
| Name |
p-Anisic acid, hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-4-6-12(5-2)17-14(15)11-7-9-13(16-3)10-8-11/h7-10,12H,5H2,1-3H3 |
| InChIKey |
QMGGRNOBDKMNSX-UHFFFAOYSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(C#CC)CC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943321 |
