| SpectraBase Compound ID | DaS7krSzNLT |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-2-3-7-14-22-18(21)16-10-8-15(9-11-16)17(20)19-12-5-4-6-13-19/h8-11H,2-7,12-14H2,1H3 |
| InChIKey | FHXVFTCQAAMCIJ-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PgTiMsM38M |
|---|---|
| Name | Terephthalic acid, piperidide, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-2-3-7-14-22-18(21)16-10-8-15(9-11-16)17(20)19-12-5-4-6-13-19/h8-11H,2-7,12-14H2,1H3 |
| InChIKey | FHXVFTCQAAMCIJ-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(N1CCCCC1)=O |