| SpectraBase Spectrum ID |
KAVhZ9NaOxQ |
| Name |
p-Coumaric acid, 3-methylbutyl ether, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-15(2)11-13-21-18-8-5-17(6-9-18)7-10-19(20)22-14-12-16(3)4/h5-10,15-16H,11-14H2,1-4H3/b10-7+ |
| InChIKey |
DWQPXPGUGMQOIS-JXMROGBWSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OCCC(C)C)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926426 |
