| SpectraBase Spectrum ID |
H1rstMERu3W |
| Name |
Sebacic acid, 4-phenoxybenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.240624190 u |
| Formula |
C26H34O5 |
| InChI |
InChI=1S/C26H34O5/c1-2-20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-21-22-16-18-24(19-17-22)31-23-12-8-7-9-13-23/h7-9,12-13,16-19H,2-6,10-11,14-15,20-21H2,1H3 |
| InChIKey |
NBHFLUCFRQJSST-UHFFFAOYSA-N |
| Molecular Weight |
426.553 g/mol |
| SMILES |
C(C(OCC1=CC=C(C=C1)OC1=CC=CC=C1)=O)CCCCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885261 |
