| SpectraBase Compound ID | 2mZwPbLujNE |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-2-3-6-13-24-15-11-9-14(10-12-15)20-18(21)16-7-4-5-8-17(16)19(22)23/h4-5,9-12,16-17H,2-3,6-8,13H2,1H3,(H,20,21)(H,22,23) |
| InChIKey | FRQAZRBRWXLBLT-UHFFFAOYSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpyVDN2D5x6 |
|---|---|
| Name | Cyclohex-3-ene-1-carboxylic acid, 6-(4-pentyloxyphenylaminocarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-2-3-6-13-24-15-11-9-14(10-12-15)20-18(21)16-7-4-5-8-17(16)19(22)23/h4-5,9-12,16-17H,2-3,6-8,13H2,1H3,(H,20,21)(H,22,23) |
| InChIKey | FRQAZRBRWXLBLT-UHFFFAOYSA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | C(C1C(C(=O)O)CC=CC1)(NC1=CC=C(C=C1)OCCCCC)=O |