| SpectraBase Spectrum ID |
GUb4sfCUnqZ |
| Name |
Pimelic acid, 1-phenylpropyl undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-18-23-30-26(28)21-16-13-17-22-27(29)31-25(4-2)24-19-14-12-15-20-24/h12,14-15,19-20,25H,3-11,13,16-18,21-23H2,1-2H3 |
| InChIKey |
ISPNBXBZYWGAQL-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C(CCCC(OCCCCCCCCCCC)=O)CC(OC(CC)C1=CC=CC=C1)=O |
