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4-[4-(5,6-Dihydrobenzo[B][1]benzazepin-11-yl)butyl]morpholine
SpectraBase Compound ID 5BLaoIXWP5m
InChI InChI=1S/C22H28N2O/c1-3-9-21-19(7-1)11-12-20-8-2-4-10-22(20)24(21)14-6-5-13-23-15-17-25-18-16-23/h1-4,7-10H,5-6,11-18H2
InChIKey NSCSBRMJEAVRCW-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvtfyXOPX3c
Name 4-[4-(5,6-Dihydrobenzo[B][1]benzazepin-11-yl)butyl]morpholine
Comments Computed using HOSE algorithm
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Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-3-9-21-19(7-1)11-12-20-8-2-4-10-22(20)24(21)14-6-5-13-23-15-17-25-18-16-23/h1-4,7-10H,5-6,11-18H2
InChIKey NSCSBRMJEAVRCW-UHFFFAOYSA-N
Molecular Weight 336.479 g/mol
SMILES C=12N(C=3C(CCC2=CC=CC1)=CC=CC3)CCCCN1CCOCC1