John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HMN66JDlg0m SpectraBase Spectrum ID=2a55KWMOf78

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8-ISOTHIOCYANATOCYClOAMPHILECTA-10-ENE
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 329.217722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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 © 2016-2021 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
SpectraBase Batch ID 6GEF9R2LUgE