| SpectraBase Compound ID | B3mOsbPgy7a |
|---|---|
| InChI | InChI=1S/C16H19ClO/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h4,6,9,11,13,15-16,18H,8,10,12,14H2,1H3/b6-4?,11-9+,15-13+/t16-/m1/s1 |
| InChIKey | BOMJGLVMBIPNNR-MBMYIMDASA-N |
| Mol Weight | 262.78 g/mol |
| Molecular Formula | C16H19ClO |
| Exact Mass | 262.112443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KWxQXAZO9r |
|---|---|
| Name | (1Z,3E,9Z)-1-CHLOROHEXADECA-5,7-DIYNE-1,3,9-TRIENE-15-OL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H19ClO |
| InChI | InChI=1S/C16H19ClO/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h4,6,9,11,13,15-16,18H,8,10,12,14H2,1H3/b6-4?,11-9+,15-13+/t16-/m1/s1 |
| InChIKey | BOMJGLVMBIPNNR-MBMYIMDASA-N |
| Literature Reference Author | R.P.DEJESUS,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,66,671(2003) |
| Literature Reference DOI | 10.1021/np020542p |
| Molecular Weight | 262.779 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI7756 |