| SpectraBase Compound ID | G73ayfeulnv |
|---|---|
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h5,7,15H,1-4,6,8-9H2 |
| InChIKey | VUTLCCKNUVSKAG-UHFFFAOYSA-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 | GR06B53b1X2 |
|---|---|
| Name | Crinan-3-one |
| 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/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h5,7,15H,1-4,6,8-9H2 |
| InChIKey | VUTLCCKNUVSKAG-UHFFFAOYSA-N |
| SMILES | C12=CC3=C(C=C2[C@@]24C(N(C1)CC4)CC(=O)CC2)OCO3 |