| SpectraBase Compound ID | 8isXr1upJQc |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-15-9-10(4-7-14(16)18-3)12-8-11(17-2)5-6-13(12)15/h5-6,8-9H,4,7H2,1-3H3 |
| InChIKey | FWTDZYZJMULYPD-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 | KXmEkHrNwoT |
|---|---|
| Name | 3-(5-Methoxy-1H-indol-3-yl)propanoic acid, N-methyl-, methyl ester |
| 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/c1-15-9-10(4-7-14(16)18-3)12-8-11(17-2)5-6-13(12)15/h5-6,8-9H,4,7H2,1-3H3 |
| InChIKey | FWTDZYZJMULYPD-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1=2N(C=C(C2C=C(C=C1)OC)CCC(=O)OC)C |