| SpectraBase Spectrum ID |
91dRVj0c67n |
| Name |
Trans-o-coumaric acid, o-isopropyloxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-9(2)17-13(16)18-11-6-4-3-5-10(11)7-8-12(14)15/h3-9H,1-2H3,(H,14,15)/b8-7+ |
| InChIKey |
WEROQYBKQDKPNI-BQYQJAHWSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C(\C=C\C1=C(OC(OC(C)C)=O)C=CC=C1)(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965594 |
