| SpectraBase Spectrum ID |
KUc8eMIHGGt |
| Name |
Trans-o-coumaric acid, o-isopropyloxycarbonyl-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-11(2)19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12(3)4/h5-12H,1-4H3/b10-9+ |
| InChIKey |
JKWAKYYGIFONBV-MDZDMXLPSA-N |
| SMILES |
C(\C=C\C1=C(OC(OC(C)C)=O)C=CC=C1)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969231 |
