| SpectraBase Compound ID | 8bR496KtyE8 |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-4-6-9-17-11(3)15(16(19)20-5-2)13-10-12(18)7-8-14(13)17/h7-8,10,18H,4-6,9H2,1-3H3 |
| InChIKey | RUIUGRJNBYYBLQ-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kRhrlQpx0d |
|---|---|
| Name | Ethyl 1-butyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-4-6-9-17-11(3)15(16(19)20-5-2)13-10-12(18)7-8-14(13)17/h7-8,10,18H,4-6,9H2,1-3H3 |
| InChIKey | RUIUGRJNBYYBLQ-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | OC=1C=C2C(=C(N(CCCC)C2=CC1)C)C(=O)OCC |