| SpectraBase Compound ID | DcINSMVdPPT |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-3-5-6-7-8-9-10-11-12-19(4-2)25-20(22)17-13-15-18(16-14-17)21(23)24/h13-16,19H,3-12H2,1-2H3 |
| InChIKey | YQICIRVNPGJNHU-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iX1P0PU5qs |
|---|---|
| Name | 4-Nitrobenzoic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-3-5-6-7-8-9-10-11-12-19(4-2)25-20(22)17-13-15-18(16-14-17)21(23)24/h13-16,19H,3-12H2,1-2H3 |
| InChIKey | YQICIRVNPGJNHU-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | C1=CC(C(OC(CCCCCCCCCC)CC)=O)=CC=C1N(=O)=O |