| SpectraBase Compound ID | 5em6OAI7sig |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+ |
| InChIKey | BSXTWYDVYNXVHH-YKNDAMCPSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4l8d40EO7U |
|---|---|
| Name | Arnebinol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+ |
| InChIKey | BSXTWYDVYNXVHH-YKNDAMCPSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | Oc1c2cc(OC\C(C)=C\CC\C(=C\C2)C)cc1 |
| SPLASH | splash10-074l-2940000000-192be3b78fb50ab3452c |
| Source of Spectrum | E1-39-2960-2 |
| Wiley ID | 1519233 |