| SpectraBase Compound ID | TewXLBELCt |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3 |
| InChIKey | RFZSZIUHAHJWHU-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wTBZGHAW8R |
|---|---|
| Name | Phthalic acid, cyclohexylmethyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3 |
| InChIKey | RFZSZIUHAHJWHU-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCCCC)C(=O)OCC1CCCCC1 |