| SpectraBase Spectrum ID |
Kav8CwtAc8h |
| Name |
Adipic acid, heptyl 3-phenoxybenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.240624190 u |
| Formula |
C26H34O5 |
| InChI |
InChI=1S/C26H34O5/c1-2-3-4-5-11-19-29-25(27)17-9-10-18-26(28)30-21-22-13-12-16-24(20-22)31-23-14-7-6-8-15-23/h6-8,12-16,20H,2-5,9-11,17-19,21H2,1H3 |
| InChIKey |
XZOCDHSNCCUEEV-UHFFFAOYSA-N |
| Molecular Weight |
426.553 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCCCCC)=O |
