| SpectraBase Compound ID | JB3qPcZMY4S |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-8-4-9(2)13(10(3)5-8)15-7-11(14(17)18)6-12(15)16/h4-5,11H,6-7H2,1-3H3,(H,17,18) |
| InChIKey | AXLGQTRQNJDIMJ-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kCWxU6IuzZ |
|---|---|
| Name | 1-Mesityl-5-oxo-3-pyrrolidinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-8-4-9(2)13(10(3)5-8)15-7-11(14(17)18)6-12(15)16/h4-5,11H,6-7H2,1-3H3,(H,17,18) |
| InChIKey | AXLGQTRQNJDIMJ-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1N(C(CC1C(=O)O)=O)C1=C(C=C(C=C1C)C)C |