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3,8-Methano-1-benzazecin-13-one, 1,2,5,6,7,8-hexahydro-2-phenyl-, (2R*,8S*)-
SpectraBase Compound ID 4DM2q7uoMVR
InChI InChI=1S/C20H19NO/c22-20-16-11-4-5-12-17(20)19(14-8-2-1-3-9-14)21-18-13-7-6-10-15(16)18/h1-3,6-10,12-13,16,19,21H,4-5,11H2/t16-,19+/m0/s1
InChIKey UDBHTIVWGPOZCV-QFBILLFUSA-N
Mol Weight 289.38 g/mol
Molecular Formula C20H19NO
Exact Mass 289.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vBXxifhTzp
Name 3,8-Methano-1-benzazecin-13-one, 1,2,5,6,7,8-hexahydro-2-phenyl-, (2R*,8S*)-
Alternate Name(s) (1S,9R)-9-phenyl-8-azatricyclo[8.4.1.0(2,7)]pentadeca-2,4,6,10-tetraen-15-one 2-Phenyl-3-azabenzo[d]bicyclo[4.4.1]undeca-1(10),4-dien-11-one
CAS Registry Number 86661-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO
InChI InChI=1S/C20H19NO/c22-20-16-11-4-5-12-17(20)19(14-8-2-1-3-9-14)21-18-13-7-6-10-15(16)18/h1-3,6-10,12-13,16,19,21H,4-5,11H2/t16-,19+/m0/s1
InChIKey UDBHTIVWGPOZCV-QFBILLFUSA-N
Molecular Weight 289.378 g/mol
SMILES N1c2ccccc2[C@]2(C(C([C@]1(c1ccccc1)[H])=CCCC2)=O)[H]
SPLASH splash10-000i-1690000000-5daa06d7e159e130c5e9
Source of Spectrum K-116-2306-0
Wiley ID 1292908