| SpectraBase Compound ID | 3q595qRUhOR |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-19-12-2-3-17-4-5-18(16(17)7-12)9-11-6-14-15(8-13(11)17)21-10-20-14/h6,8,12,16H,2-5,7,9-10H2,1H3 |
| InChIKey | LKAUCYJQKPWYRZ-UHFFFAOYSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FitB018IfVC |
|---|---|
| Name | Crinan, 3-methoxy-, (3.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.152143537 u |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-19-12-2-3-17-4-5-18(16(17)7-12)9-11-6-14-15(8-13(11)17)21-10-20-14/h6,8,12,16H,2-5,7,9-10H2,1H3 |
| InChIKey | LKAUCYJQKPWYRZ-UHFFFAOYSA-N |
| SMILES | COC1CC2C3(CC1)C1=C(CN2CC3)C=C2C(=C1)OCO2 |