| SpectraBase Compound ID | 18EOwev11cN |
|---|---|
| InChI | InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-9-17-27-20(23)11-10-12-21(24)28-19-15-13-18(14-16-19)22(25)26/h13-16H,2-12,17H2,1H3 |
| InChIKey | TZMYAMOEOGKQFA-UHFFFAOYSA-N |
| Mol Weight | 393.48 g/mol |
| Molecular Formula | C21H31NO6 |
| Exact Mass | 393.215138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFqANYPI2C2 |
|---|---|
| Name | Glutaric acid, decyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.215137716 u |
| Formula | C21H31NO6 |
| InChI | InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-9-17-27-20(23)11-10-12-21(24)28-19-15-13-18(14-16-19)22(25)26/h13-16H,2-12,17H2,1H3 |
| InChIKey | TZMYAMOEOGKQFA-UHFFFAOYSA-N |
| Molecular Weight | 393.480 g/mol |
| SMILES | CCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1)N(=O)=O)=O)=O |