| SpectraBase Compound ID | 3fbZrG56nSd |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-15(2)8-7-13-21-17(19)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,3-14H2,1-2H3 |
| InChIKey | NTGFHYCCMIHOTK-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpPExGfLW47 |
|---|---|
| Name | Adipic acid, cyclopentylmethyl isohexyl 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/c1-15(2)8-7-13-21-17(19)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,3-14H2,1-2H3 |
| InChIKey | NTGFHYCCMIHOTK-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C1CC(COC(=O)CCCCC(OCCCC(C)C)=O)CC1 |