SpectraBase Spectrum ID |
G0oGsOaaady |
Name |
Pimelic acid, 4-(tert-butyl)cyclohexyl octyl ester isomer 1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H46O4 |
InChI |
InChI=1S/C25H46O4/c1-5-6-7-8-9-13-20-28-23(26)14-11-10-12-15-24(27)29-22-18-16-21(17-19-22)25(2,3)4/h21-22H,5-20H2,1-4H3 |
InChIKey |
PYVUIVNODBBXHP-UHFFFAOYSA-N |
Molecular Weight |
410.639 g/mol |
SMILES |
C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCCCC)=O |
SPLASH |
splash10-0a4l-9520000000-0a577b2e27ea86a9366c |
Source of Spectrum |
TIPS-2022-707-0 |
Wiley ID |
1822224 |