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cylindricine G
SpectraBase Compound ID 2nXNeLTsZGu
InChI InChI=1S/C18H28N2OS/c1-2-3-6-14-11-17(21)16-7-4-5-9-18(16)10-8-15(20(14)18)12-22-13-19/h14-16H,2-12H2,1H3/t14-,15?,16?,18+/m0/s1
InChIKey OJTMGSOUEMSVPX-MMIPBJDJSA-N
Mol Weight 320.5 g/mol
Molecular Formula C18H28N2OS
Exact Mass 320.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2M52E5PKuAC
Name cylindricine G
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N2OS
InChI InChI=1S/C18H28N2OS/c1-2-3-6-14-11-17(21)16-7-4-5-9-18(16)10-8-15(20(14)18)12-22-13-19/h14-16H,2-12H2,1H3/t14-,15?,16?,18+/m0/s1
InChIKey OJTMGSOUEMSVPX-MMIPBJDJSA-N
Molecular Weight 320.495 g/mol
SMILES [C@@]123N([C@@](CCCC)(CC(C3CCCC1)=O)[H])C(CSC#N)CC2
SPLASH splash10-0002-0090000000-a8945b1126022d1385ac
Source of Spectrum B-47-1355-0
Synonyms (5-butyl-7-oxodecahydro-1H-pyrrolo[2,1-j]quinolin-3-yl)methyl thiocyanate
Wiley ID 1320170