| SpectraBase Compound ID | Lwfg3D1ive6 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-5-6-7-11-21-15(19)13-9-8-10-14(18-13)16(20)22-12-17(2,3)4/h8-10H,5-7,11-12H2,1-4H3 |
| InChIKey | SDSYBHUXSQWXRP-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 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 | 2FwlU3K3Ehq |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, neopentyl pentyl 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/c1-5-6-7-11-21-15(19)13-9-8-10-14(18-13)16(20)22-12-17(2,3)4/h8-10H,5-7,11-12H2,1-4H3 |
| InChIKey | SDSYBHUXSQWXRP-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CCCCCOC(C=1N=C(C(OCC(C)(C)C)=O)C=CC1)=O |