| SpectraBase Spectrum ID |
AUoD6vpNXZ2 |
| Name |
p-Coumaric acid, isopropyl ether, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-11(2)17-14-8-5-13(6-9-14)7-10-15(16)18-12(3)4/h5-12H,1-4H3/b10-7+ |
| InChIKey |
KYZNENFATXBDGE-JXMROGBWSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OC(C)C)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978199 |
