| SpectraBase Compound ID | 1AvUormsMLT |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-5-10-6-3-4-7(8(10)11)9(12)13/h2-4,6H,1,5H2,(H,12,13) |
| InChIKey | NNKVCVYNECBKPK-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | E2S8iDL4yte |
|---|---|
| Name | 1-ALLYL-1,2-DIHYDRO-2-OXONICOTINIC ACID |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-2-5-10-6-3-4-7(8(10)11)9(12)13/h2-4,6H,1,5H2,(H,12,13) |
| InChIKey | NNKVCVYNECBKPK-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 126-127C |
| Molecular Weight | 179.18 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |