| SpectraBase Compound ID | 4KXiR0bVGp7 |
|---|---|
| InChI | InChI=1S/C16H17NO3/c18-15-3-1-2-14-16(15)4-5-17(14)8-10-6-12-13(7-11(10)16)20-9-19-12/h1,3,6-7,14-15,18H,2,4-5,8-9H2/t14?,15?,16-/m0/s1 |
| InChIKey | ADFFLIQZGSNFOX-GPANFISMSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JqoQRrFzJ4 |
|---|---|
| Name | Crinan-1-ol, 2,3-didehydro-,(1.alpha.- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c18-15-3-1-2-14-16(15)4-5-17(14)8-10-6-12-13(7-11(10)16)20-9-19-12/h1,3,6-7,14-15,18H,2,4-5,8-9H2/t14?,15?,16-/m0/s1 |
| InChIKey | ADFFLIQZGSNFOX-GPANFISMSA-N |
| SMILES | C12=CC3=C(C=C2[C@@]24C(N(C1)CC4)CC=CC2O)OCO3 |