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N,N-Dibenzylneooncinotine
SpectraBase Compound ID 8wmxS1Kzcgd
InChI InChI=1S/C37H57N3O/c41-37-26-14-6-4-2-1-3-5-13-24-36-25-15-16-28-39(36)29-17-18-30-40(37)31-19-27-38(32-34-20-9-7-10-21-34)33-35-22-11-8-12-23-35/h7-12,20-23,36H,1-6,13-19,24-33H2/t36-/m1/s1
InChIKey SQPNRBRRCVARTK-PSXMRANNSA-N
Mol Weight 559.9 g/mol
Molecular Formula C37H57N3O
Exact Mass 559.450163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20YF79oWZc
Name N,N-Dibenzylneooncinotine
Alternate Name(s) (R)-10-(3-(dibenzylamino)propyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H57N3O
InChI InChI=1S/C37H57N3O/c41-37-26-14-6-4-2-1-3-5-13-24-36-25-15-16-28-39(36)29-17-18-30-40(37)31-19-27-38(32-34-20-9-7-10-21-34)33-35-22-11-8-12-23-35/h7-12,20-23,36H,1-6,13-19,24-33H2/t36-/m1/s1
InChIKey SQPNRBRRCVARTK-PSXMRANNSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 559.883 g/mol
SMILES C(N(Cc1ccccc1)Cc1ccccc1)CCN1C(CCCCCCCCCC[C@@]2(CCCCN2CCCC1)[H])=O
SPLASH splash10-014l-7311900000-299286e914e9ea7dfa31
Source of Spectrum H-59-3025-29
Wiley ID 1800016