| SpectraBase Compound ID | 7SKCsoQqOvq |
|---|---|
| InChI | InChI=1S/C21H33NO3/c1-4-7-12-17-25-21(24)19-14-11-10-13-18(19)20(23)22(15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-17H2,1-3H3 |
| InChIKey | GUVHNGOIFQWWNH-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C21H33NO3 |
| Exact Mass | 347.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1U5r7AwTer |
|---|---|
| Name | Phthalic acid, monoamide, N,N-dibutyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.246043924 u |
| Formula | C21H33NO3 |
| InChI | InChI=1S/C21H33NO3/c1-4-7-12-17-25-21(24)19-14-11-10-13-18(19)20(23)22(15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-17H2,1-3H3 |
| InChIKey | GUVHNGOIFQWWNH-UHFFFAOYSA-N |
| Molecular Weight | 347.499 g/mol |
| SMILES | CCCCCOC(C1=C(C(N(CCCC)CCCC)=O)C=CC=C1)=O |