| SpectraBase Compound ID | LkbJBSg9HCX |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h7-8,12-13,17H,2-6,9-11,14-16H2,1H3 |
| InChIKey | MJVSRHIDIMYMRQ-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5jz2X70h1Lg |
|---|---|
| Name | Phthalic acid, 2-cyclohexylethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h7-8,12-13,17H,2-6,9-11,14-16H2,1H3 |
| InChIKey | MJVSRHIDIMYMRQ-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCCCCC)C(=O)OCCC1CCCCC1 |