| SpectraBase Compound ID | EWu5XA6GcuV |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-10(2)5-6-12(14)15-9-11-4-3-7-13-8-11/h3-4,7-8,10H,5-6,9H2,1-2H3 |
| InChIKey | BTZVIEPPMAHNOJ-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9y1FtxLmzfy |
|---|---|
| Name | 4-Methylvaleric acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-10(2)5-6-12(14)15-9-11-4-3-7-13-8-11/h3-4,7-8,10H,5-6,9H2,1-2H3 |
| InChIKey | BTZVIEPPMAHNOJ-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | CC(CCC(OCC1=CC=CN=C1)=O)C |