| SpectraBase Spectrum ID |
JAY78nFax4u |
| Name |
3-(4-Hydroxyphenyl)propenoic acid 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| InChI |
InChI=1S/C17H24O3/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14,18H,3-6,13H2,1-2H3/b12-9- |
| InChIKey |
DAFFYDOASOLDQY-XFXZXTDPSA-N |
| SMILES |
C1(=CC=C(C=C1)\C=C/C(OCC(CCCC)CC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949069 |
