| SpectraBase Compound ID | ElAFi5Ic9V3 |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-5,11,14-15H,6-7H2,1H3 |
| InChIKey | QZGCHMZBGHVZFB-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWGhqAMbD4e |
|---|---|
| Name | .beta.-Carbocin-3-carboxylic acid, methyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-5,11,14-15H,6-7H2,1H3 |
| InChIKey | QZGCHMZBGHVZFB-UHFFFAOYSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | C1NC(CC2=C1NC=1C2=CC=CC1)C(OC)=O |