| SpectraBase Compound ID | C7yrn0BtIaz |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-3-11-21-16(19)13-8-6-9-14(18-13)17(20)22-15-10-5-4-7-12(15)2/h4-10H,3,11H2,1-2H3 |
| InChIKey | UXGSVBUQCUCNEO-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnyBZcb5jx0 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 2-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c1-3-11-21-16(19)13-8-6-9-14(18-13)17(20)22-15-10-5-4-7-12(15)2/h4-10H,3,11H2,1-2H3 |
| InChIKey | UXGSVBUQCUCNEO-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC=C1OC(C1=NC(C(OCCC)=O)=CC=C1)=O |