| SpectraBase Compound ID | 6TGmagMq9Rl |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-2-12-20-16(19)14-8-6-13(7-9-14)15(18)17-10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | NEKSUGNQAPNEDA-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOp36i63XeR |
|---|---|
| Name | Terephthalic acid, piperidide, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-2-12-20-16(19)14-8-6-13(7-9-14)15(18)17-10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | NEKSUGNQAPNEDA-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OCCC)C(N1CCCCC1)=O |