| SpectraBase Compound ID | BYKgytzEqtX |
|---|---|
| InChI | InChI=1S/C16H19NO3/c18-15-8-17-7-10-5-12-13(20-9-19-12)6-11(10)16(15)4-2-1-3-14(16)17/h5-6,14-15,18H,1-4,7-9H2 |
| InChIKey | ZBEFAVCDTMEMPZ-UHFFFAOYSA-N |
| Mol Weight | 273.33 g/mol |
| Molecular Formula | C16H19NO3 |
| Exact Mass | 273.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wQQI1XH1uL |
|---|---|
| Name | Crinan-11-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.136493473 u |
| Formula | C16H19NO3 |
| InChI | InChI=1S/C16H19NO3/c18-15-8-17-7-10-5-12-13(20-9-19-12)6-11(10)16(15)4-2-1-3-14(16)17/h5-6,14-15,18H,1-4,7-9H2 |
| InChIKey | ZBEFAVCDTMEMPZ-UHFFFAOYSA-N |
| SMILES | C12=CC3=C(C=C2C24C(N(C1)CC4O)CCCC2)OCO3 |