SpectraBase Spectrum ID |
4Wfpbwl2OxF |
Name |
Pimelic acid, 2-(tert-butyl)cyclohexyl 4-methylpent-2-yl ester isomer 1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H42O4 |
InChI |
InChI=1S/C23H42O4/c1-17(2)16-18(3)26-21(24)14-8-7-9-15-22(25)27-20-13-11-10-12-19(20)23(4,5)6/h17-20H,7-16H2,1-6H3 |
InChIKey |
QVVNAXXLUSAIGS-UHFFFAOYSA-N |
Molecular Weight |
382.585 g/mol |
SMILES |
C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OC(CC(C)C)C)=O |
SPLASH |
splash10-0006-8910000000-ef5c34caabd11aad8a48 |
Source of Spectrum |
TIPS-2022-660-0 |
Wiley ID |
1822177 |