| SpectraBase Compound ID | EAgwn2MQkeQ |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-2-3-7-16(19)21-14-5-4-6-15(12-14)22-17(20)13-8-10-18-11-9-13/h4-6,8-12H,2-3,7H2,1H3 |
| InChIKey | FSPBPNBJUSXXLA-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 | H2A2vdHRrnn |
|---|---|
| Name | 1,3-Benzenediol, o-isonicotinoyl-o'-valeryl- |
| 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/c1-2-3-7-16(19)21-14-5-4-6-15(12-14)22-17(20)13-8-10-18-11-9-13/h4-6,8-12H,2-3,7H2,1H3 |
| InChIKey | FSPBPNBJUSXXLA-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=NC=C1)=O)OC(CCCC)=O |