| SpectraBase Compound ID | KEMOxv8aCee |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-2-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3 |
| InChIKey | HKDLQPQNJCEMSE-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SsO86vGt4u |
|---|---|
| Name | Terephthalic acid, cycloheptyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-2-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3 |
| InChIKey | HKDLQPQNJCEMSE-UHFFFAOYSA-N |
| SMILES | CCCOC(C1=CC=C(C(OC2CCCCCC2)=O)C=C1)=O |