| SpectraBase Compound ID | 4bHK2bbezbE |
|---|---|
| InChI | InChI=1S/C15H17NO3/c1-16-12-7-4-3-6-11(12)10-13(16)14(17)8-5-9-15(18)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | PMZITJLBSQZCAF-UHFFFAOYSA-N |
| Mol Weight | 259.3 g/mol |
| Molecular Formula | C15H17NO3 |
| Exact Mass | 259.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOx5WPoT4Wi |
|---|---|
| Name | 1-Methyl-3-methoxycarbonylpropylcarbonyl-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.120843408 u |
| Formula | C15H17NO3 |
| InChI | InChI=1S/C15H17NO3/c1-16-12-7-4-3-6-11(12)10-13(16)14(17)8-5-9-15(18)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | PMZITJLBSQZCAF-UHFFFAOYSA-N |
| Molecular Weight | 259.305 g/mol |
| SMILES | C=1(N(C2=C(C1)C=CC=C2)C)C(=O)CCCC(=O)OC |