| SpectraBase Compound ID | B72M2Ld4PLR |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-2-19-15(17)13-10-6-7-11-14(13)16(18)20-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3 |
| InChIKey | BNTNXFQAIVBINE-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43O7gNgcUkT |
|---|---|
| Name | Phthalic acid, cyclohexyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-2-19-15(17)13-10-6-7-11-14(13)16(18)20-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3 |
| InChIKey | BNTNXFQAIVBINE-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OCC)=O)C(OC1CCCCC1)=O |