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6,9-Methano-9H-azecino[5,4-b]indole-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-methoxy-, (6R*,8R*)-(.+-.)-
SpectraBase Compound ID IIjj7kZTizF
InChI InChI=1S/C18H21N3O/c1-22-18-12-3-2-4-16-15(9-13(8-12)20-18)14-7-11(10-19)5-6-17(14)21-16/h2-4,11-13,18,20H,5-9H2,1H3/b3-2+,16-4+/t11?,12?,13-,18-/m1/s1
InChIKey VTCJSGSFWFMEFG-MVDUNUCVSA-N
Mol Weight 295.39 g/mol
Molecular Formula C18H21N3O
Exact Mass 295.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWt2KLH7hSF
Name 6,9-Methano-9H-azecino[5,4-b]indole-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-methoxy-, (6R*,8R*)-(.+-.)-
CAS Registry Number 80249-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O
InChI InChI=1S/C18H21N3O/c1-22-18-12-3-2-4-16-15(9-13(8-12)20-18)14-7-11(10-19)5-6-17(14)21-16/h2-4,11-13,18,20H,5-9H2,1H3/b3-2+,16-4+/t11?,12?,13-,18-/m1/s1
InChIKey VTCJSGSFWFMEFG-MVDUNUCVSA-N
Molecular Weight 295.386 g/mol
SMILES N1[C@@](C2\C=C\C=C/3N=C4C(=C3C[C@]1(C2)[H])CC(CC4)C#N)(OC)[H]
SPLASH splash10-001j-0490000000-3427759305bc13217ac5
Source of Spectrum F-37-1555-0
Synonyms (1R,16R)-16-methoxy-10,17-diazatetracyclo[13.2.1.0(3,11).0(4,9)]octadeca-3,9,11,13-tetraene-6-carbonitrile 3-Cyano-6(R),9-methano-8(R)-methoxy-1,2,3,4,5,6,7,8-octahydro-9H-azecino[5,4-b]indole
Wiley ID 1298362