SpectraBase Compound ID | Dtf5HZT3Lb0 |
---|---|
InChI | InChI=1S/C18H32O4/c1-2-3-4-10-15-21-17(19)13-8-9-14-18(20)22-16-11-6-5-7-12-16/h16H,2-15H2,1H3 |
InChIKey | SXKCDRRSQHPBOI-UHFFFAOYSA-N |
Mol Weight | 312.5 g/mol |
Molecular Formula | C18H32O4 |
Exact Mass | 312.23006 g/mol |
SpectraBase Spectrum ID | 8qVzYNJ9gE7 |
---|---|
Name | Adipic acid, cyclohexyl hexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 312.230059506 u |
Formula | C18H32O4 |
InChI | InChI=1S/C18H32O4/c1-2-3-4-10-15-21-17(19)13-8-9-14-18(20)22-16-11-6-5-7-12-16/h16H,2-15H2,1H3 |
InChIKey | SXKCDRRSQHPBOI-UHFFFAOYSA-N |
Molecular Weight | 312.450 g/mol |
SMILES | C(CCC(=O)OC1CCCCC1)CC(OCCCCCC)=O |