| SpectraBase Spectrum ID |
6gruQVAneOq |
| Name |
Benzoic acid, 4-(nonyloxy)-, 4-(2-propoxypropoxy)phenyl ester, (S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.287574383 u |
| Formula |
C28H40O5 |
| InChI |
InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-21-31-25-14-12-24(13-15-25)28(29)33-27-18-16-26(17-19-27)32-22-23(3)30-20-5-2/h12-19,23H,4-11,20-22H2,1-3H3/t23-/m0/s1 |
| InChIKey |
NOMJQELQXUNDCD-QHCPKHFHSA-N |
| Molecular Weight |
456.623 g/mol |
| SMILES |
C(OC=1C=CC(OC[C@@](OCCC)(C)[H])=CC1)(C=1C=CC(=CC1)OCCCCCCCCC)=O |
