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.beta.-Obscurine, de-N-methyl-
SpectraBase Compound ID 17ngD3xtXZI
InChI InChI=1S/C16H22N2O/c1-10-8-11-9-14-13(5-6-15(19)17-14)16(10)12(11)4-3-7-18(16)2/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,17,19)/t10-,11+,12?,16-/m0/s1
InChIKey RCAPVSLZIGMFTQ-AVJHPGPQSA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfTnQFLijYS
Name .beta.-Obscurine, de-N-methyl-
Alternate Name(s) 1H-5,10b-Propano-1,7-phenanthroline, lycodin-1(18H)-one deriv. Lycodin-1(18H)-one 14,15-dimethyl-6,14-diazatetracyclo[7.5.2.0(1,10).0(2,7)]hexadeca-2(7),3-dien-5-one Des-N-methyl-.beta.-obscurine N-Demethyl-.beta.-obscurine
CAS Registry Number 107965-41-3
Comments Less than 3 mono-isotopic peaks
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Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-10-8-11-9-14-13(5-6-15(19)17-14)16(10)12(11)4-3-7-18(16)2/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,17,19)/t10-,11+,12?,16-/m0/s1
InChIKey RCAPVSLZIGMFTQ-AVJHPGPQSA-N
Molecular Weight 258.365 g/mol
SMILES N1C(C=CC2=C1C[C@]1(C[C@@]([C@]22C1CCCN2C)(C)[H])[H])=O
SPLASH splash10-0udi-0090000000-9f81c9d197dcee90ef2b
Source of Spectrum I-67-1085-5
Wiley ID 1262112