| SpectraBase Compound ID | 8gR25gpoFZV |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-20-16-5-2-11(8-15(16)19)10-17-7-6-12-3-4-13(18)9-14(12)17/h2,5,8,12,14,19H,3-4,6-7,9-10H2,1H3 |
| InChIKey | GUHUMJCJZOICHP-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 | EadhITda4Kd |
|---|---|
| Name | 1-(4-Methoxy-3-hydroxybenzyl)octahydroindole-6-one |
| 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/c1-20-16-5-2-11(8-15(16)19)10-17-7-6-12-3-4-13(18)9-14(12)17/h2,5,8,12,14,19H,3-4,6-7,9-10H2,1H3 |
| InChIKey | GUHUMJCJZOICHP-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C1N(C2CC(CCC2C1)=O)CC=1C=C(C(=CC1)OC)O |