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1,2,3,3A,4,5,10,11-Octahydronaphtho[1,2-G]indolizine, picrate

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1,2,3,3A,4,5,10,11-Octahydronaphtho[1,2-G]indolizine, picrate
SpectraBase Compound ID 3FduDPKFwYL
InChI InChI=1S/C16H19N.C6H3N3O7/c1-2-5-13-12(4-1)7-8-15-14(13)9-11-17-10-3-6-16(15)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-5,16H,3,6-11H2;1-2,10H
InChIKey GAIBTUXAACCESI-UHFFFAOYSA-N
Mol Weight 454.44 g/mol
Molecular Formula C22H22N4O7
Exact Mass 454.148849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W7plWhrJO1
Name 1,2,3,3A,4,5,10,11-Octahydronaphtho[1,2-G]indolizine, picrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.148849057 u
Formula C22H22N4O7
InChI InChI=1S/C16H19N.C6H3N3O7/c1-2-5-13-12(4-1)7-8-15-14(13)9-11-17-10-3-6-16(15)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-5,16H,3,6-11H2;1-2,10H
InChIKey GAIBTUXAACCESI-UHFFFAOYSA-N
Molecular Weight 454.439 g/mol
SMILES N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.C12=C(CCC3=C1C=CC=C3)C1N(CC2)CCC1