| SpectraBase Compound ID | IhLzy0rWQiV |
|---|---|
| InChI | InChI=1S/C15H17NO2/c1-3-6-11(15(17)18-2)9-12-10-16-14-8-5-4-7-13(12)14/h3-5,7-8,10-11,16H,1,6,9H2,2H3 |
| InChIKey | FCFHIRNQJNJBTQ-UHFFFAOYSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C15H17NO2 |
| Exact Mass | 243.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nuDDvCYrjU |
|---|---|
| Name | 4-Pentenoic acid, 2-(3-indolylmethyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.125928789 u |
| Formula | C15H17NO2 |
| InChI | InChI=1S/C15H17NO2/c1-3-6-11(15(17)18-2)9-12-10-16-14-8-5-4-7-13(12)14/h3-5,7-8,10-11,16H,1,6,9H2,2H3 |
| InChIKey | FCFHIRNQJNJBTQ-UHFFFAOYSA-N |
| Molecular Weight | 243.306 g/mol |
| SMILES | C1(=CNC2=C1C=CC=C2)CC(C(OC)=O)CC=C |