| SpectraBase Compound ID | HMN66JDlg0m |
|---|---|
| InChI | InChI=1S/C21H31NS/c1-13-9-16-11-20(3,4)10-15-7-8-21(22-12-23)14(2)5-6-17(13)19(21)18(15)16/h7,13-14,16-19H,5-6,8-11H2,1-4H3/t13-,14-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | UALOZVMNQKNIOV-OXPIXLAOSA-N |
| Mol Weight | 329.55 g/mol |
| Molecular Formula | C21H31NS |
| Exact Mass | 329.217721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a55KWMOf78 |
|---|---|
| Name | 8-ISOTHIOCYANATOCYClOAMPHILECTA-10-ENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NS |
| InChI | InChI=1S/C21H31NS/c1-13-9-16-11-20(3,4)10-15-7-8-21(22-12-23)14(2)5-6-17(13)19(21)18(15)16/h7,13-14,16-19H,5-6,8-11H2,1-4H3/t13-,14-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | UALOZVMNQKNIOV-OXPIXLAOSA-N |
| Literature Reference Author | H.MITOME,N.SHIRATO,H.MIYAOKA,Y.YAMADA,R.W.M.VANSOEST |
| Literature Reference Citation | J.NAT.PROD.,67,833(2004) |
| Literature Reference DOI | 10.1021/np030458p |
| Molecular Weight | 329.544 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ5791 |