| SpectraBase Spectrum ID |
iSCAOmFmGC |
| Name |
Pimelic acid, 2-(tert-butyl)cyclohexyl propyl ester isomer 1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-5-15-23-18(21)13-7-6-8-14-19(22)24-17-12-10-9-11-16(17)20(2,3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey |
JFFKHNHXLGUUKV-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCC)=O |
| SPLASH |
splash10-052u-6910000000-3a4fa6d6940458dd2d82 |
| Source of Spectrum |
TIPS-2022-656-0 |
| Wiley ID |
1822173 |
