SpectraBase Compound ID | HMN66JDlg0m |
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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 |
SpectraBase Spectrum ID | 2a55KWMOf78 |
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Name | 8-ISOTHIOCYANATOCYClOAMPHILECTA-10-ENE |
Compound Number | 7 |
Copyright | Copyright © 2016-2024 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 |