| SpectraBase Compound ID | EF9g1sXZm0i |
|---|---|
| InChI | InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17) |
| InChIKey | LDTBMEOGSQFGDK-UHFFFAOYSA-N |
| Mol Weight | 229.23 g/mol |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.073893 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8C90P8xiK1V |
|---|---|
| Name | 1-BENZYL-1,6-DIHYDRO-6-OXONICOTINIC ACID |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11NO3 |
| InChI | InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17) |
| InChIKey | LDTBMEOGSQFGDK-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 205-207C |
| Molecular Weight | 229.24 |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |