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Crinine
SpectraBase Compound ID 4HVKf67I0tq
InChI InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1
InChIKey RPAORVSEYNOMBR-IUIKQTSFSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT3QJLcsAM5
Name Crinine
Alternate Name(s) (3R,4aR,11bS)-4,4a-dihydro-3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-3-ol
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Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1
InChIKey RPAORVSEYNOMBR-IUIKQTSFSA-N
Molecular Weight 271.316 g/mol
SMILES O[C@@]1(C[C@]2(N3Cc4cc5c(cc4[C@@]2(C=C1)CC3)OCO5)[H])[H]
SPLASH splash10-00di-0890000000-8b714ab2604fbcea1f97
Source of Spectrum PA-16-101-4
Wiley ID 1789477