SpectraBase Spectrum ID |
8pj7dUZcLq |
Name |
Pimelic acid, 2-(tert-butyl)cyclohexyl octyl ester isomer 1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H46O4 |
InChI |
InChI=1S/C25H46O4/c1-5-6-7-8-9-15-20-28-23(26)18-11-10-12-19-24(27)29-22-17-14-13-16-21(22)25(2,3)4/h21-22H,5-20H2,1-4H3 |
InChIKey |
IPZJTXPSKQSELC-UHFFFAOYSA-N |
Molecular Weight |
410.639 g/mol |
SMILES |
C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCCCCCCC)=O |
SPLASH |
splash10-0a4l-9530000000-93e93ce52a16401344a9 |
Source of Spectrum |
TIPS-2022-663-0 |
Wiley ID |
1822180 |