| SpectraBase Compound ID | 3A5fdFTaNoO |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-2-21-14(17)9-4-3-5-10-15(18)22-13-8-6-7-12(11-13)16(19)20/h6-8,11H,2-5,9-10H2,1H3 |
| InChIKey | CSNYEEIHPWWQJL-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7LwwdX5glR |
|---|---|
| Name | Pimelic acid, ethyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-2-21-14(17)9-4-3-5-10-15(18)22-13-8-6-7-12(11-13)16(19)20/h6-8,11H,2-5,9-10H2,1H3 |
| InChIKey | CSNYEEIHPWWQJL-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C(OC1=CC(=CC=C1)N(=O)=O)(=O)CCCCCC(OCC)=O |