| SpectraBase Compound ID | BCSch9UVF59 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-9-14-22-17(19)15-10-12-16(13-11-15)18(20)21/h10-13H,2-9,14H2,1H3 |
| InChIKey | XRQVVCKJAIGRHJ-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4TWXMg85zL |
|---|---|
| Name | 4-Nitrobenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-9-14-22-17(19)15-10-12-16(13-11-15)18(20)21/h10-13H,2-9,14H2,1H3 |
| InChIKey | XRQVVCKJAIGRHJ-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC(C(OCCCCCCCCCC)=O)=CC=C1N(=O)=O |