| SpectraBase Compound ID | LZUXKV4h8G7 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-6-21-15(19)13-8-7-9-14(18-13)16(20)22-11-12(2)10-17(3,4)5/h7-9,12H,6,10-11H2,1-5H3 |
| InChIKey | KEWKZTWYQPIFFH-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTHiuacv7gy |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl 2,4,4-trimethylpentyl 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/c1-6-21-15(19)13-8-7-9-14(18-13)16(20)22-11-12(2)10-17(3,4)5/h7-9,12H,6,10-11H2,1-5H3 |
| InChIKey | KEWKZTWYQPIFFH-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(C)(C)CC(COC(C1=NC(C(OCC)=O)=CC=C1)=O)C |