| SpectraBase Compound ID | AvOOHm3TqWu |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-2-3-4-5-9-16-24-20(23)18-12-10-17(11-13-18)19(22)21-14-7-6-8-15-21/h10-13H,2-9,14-16H2,1H3 |
| InChIKey | JGYCHYICVAFTTN-UHFFFAOYSA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwgoZRJwDWQ |
|---|---|
| Name | Terephthalic acid, piperidide, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.214743795 u |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-2-3-4-5-9-16-24-20(23)18-12-10-17(11-13-18)19(22)21-14-7-6-8-15-21/h10-13H,2-9,14-16H2,1H3 |
| InChIKey | JGYCHYICVAFTTN-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | CCCCCCCOC(C1=CC=C(C(N2CCCCC2)=O)C=C1)=O |