| SpectraBase Compound ID | CQjFcO4ZQlu |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(7-5-11)14(17)18/h4-7,10H,2-3,8-9H2,1H3,(H,17,18) |
| InChIKey | JSMXSCPIIPXORY-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 | CWF8hM5rKvz |
|---|---|
| Name | Mppp-m (carboxy-) P586 |
| 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/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(7-5-11)14(17)18/h4-7,10H,2-3,8-9H2,1H3,(H,17,18) |
| InChIKey | JSMXSCPIIPXORY-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C=1C=C(C(C(C)N2CCCC2)=O)C=CC1C(O)=O |