| SpectraBase Spectrum ID |
2yHM9OSlKZV |
| Name |
Benzoic acid, 4-(nonyloxy)-, 4-(2-ethoxypropoxy)phenyl ester, (S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.271924319 u |
| Formula |
C27H38O5 |
| InChI |
InChI=1S/C27H38O5/c1-4-6-7-8-9-10-11-20-30-24-14-12-23(13-15-24)27(28)32-26-18-16-25(17-19-26)31-21-22(3)29-5-2/h12-19,22H,4-11,20-21H2,1-3H3/t22-/m0/s1 |
| InChIKey |
HQETXPYFUAICAW-QFIPXVFZSA-N |
| Molecular Weight |
442.596 g/mol |
| SMILES |
C(OC=1C=CC(OC[C@@](OCC)(C)[H])=CC1)(C=1C=CC(=CC1)OCCCCCCCCC)=O |
