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N-ACETYLPHANTASMIDINE;MAJOR_ISOMER

View entire compound with spectra: 2 NMR, and 2 MS (GC)

N-ACETYLPHANTASMIDINE;MAJOR_ISOMER
SpectraBase Compound ID 4eZb2AxDhUF
InChI InChI=1S/C13H13ClN2O2/c1-7(17)16-6-9-8-2-3-11(14)15-12(8)18-13(9)5-4-10(13)16/h2-3,9-10H,4-6H2,1H3/t9-,10-,13+/m0/s1
InChIKey VBHFZQVZRBYLPK-OUJBWJOFSA-N
Mol Weight 264.71 g/mol
Molecular Formula C13H13ClN2O2
Exact Mass 264.066555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFEZUvuknzu
Name N-ACETYLPHANTASMIDINE;MAJOR_ISOMER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN2O2
InChI InChI=1S/C13H13ClN2O2/c1-7(17)16-6-9-8-2-3-11(14)15-12(8)18-13(9)5-4-10(13)16/h2-3,9-10H,4-6H2,1H3/t9-,10-,13+/m0/s1
InChIKey VBHFZQVZRBYLPK-OUJBWJOFSA-N
Literature Reference Author R.W.FITCH,T.F.SPANDE,H.M.GARRAFFO,H.J.C.YEH,J.W.DALY
Literature Reference Citation J.NAT.PROD.,73,331(2010)
Literature Reference DOI 10.1021/np900727e
Molecular Weight 264.711 g/mol
Sample ID 35034
Solvent CD3OD