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2-METHYLTHIO-NEOCRYPTOLEPINE
SpectraBase Compound ID D5jvU88OcNV
InChI InChI=1S/C17H14N2S/c1-19-16-8-7-12(20-2)9-11(16)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3
InChIKey NMSGXLTVXZXDIA-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C17H14N2S
Exact Mass 278.08777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hIudN3PBir
Name 2-METHYLTHIO-NEOCRYPTOLEPINE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14N2S
InChI InChI=1S/C17H14N2S/c1-19-16-8-7-12(20-2)9-11(16)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3
InChIKey NMSGXLTVXZXDIA-UHFFFAOYSA-N
Literature Reference Author T.H.M.JONCKERS,S.V.MIERT,K.CIMANGA,C.BAILLY,P.COLSON,M.C.D.P AUW-GILLET,H.V.D.HEU
Literature Reference Citation J.MED.CHEM.,45,3497(2002)
Literature Reference DOI 10.1021/jm011102i
Molecular Weight 278.372 g/mol
Sample ID 64931
Solvent CDCl3