| SpectraBase Compound ID | KD9hSTa81Im |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-2-21-14(17)10-4-3-5-11-15(18)22-13-9-7-6-8-12(13)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | RNGYMZKZJONYLU-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ECTpHtsvBeG |
|---|---|
| Name | Pimelic acid, ethyl 2-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)10-4-3-5-11-15(18)22-13-9-7-6-8-12(13)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | RNGYMZKZJONYLU-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OCC)=O |