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5H-Dibenzo[b,f]azepine-5-carboxylic acid, 10,11-dihydro-, 8-methyl-8-azabicyclo[3.2.1]oct-3-ylidenamino ester

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5H-Dibenzo[b,f]azepine-5-carboxylic acid, 10,11-dihydro-, 8-methyl-8-azabicyclo[3.2.1]oct-3-ylidenamino ester
SpectraBase Compound ID 7wU3su5ON5N
InChI InChI=1S/C23H25N3O2/c1-25-19-12-13-20(25)15-18(14-19)24-28-23(27)26-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)26/h2-9,19-20H,10-15H2,1H3
InChIKey XEBZFSJGWSWFID-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C23H25N3O2
Exact Mass 375.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dTlyUozsd7
Name 5H-Dibenzo[B,F]azepine-5-carboxylic acid, 10,11-dihydro-, 8-methyl-8-azabicyclo[3.2.1]oct-3-ylidenamino ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.194677055 u
Formula C23H25N3O2
InChI InChI=1S/C23H25N3O2/c1-25-19-12-13-20(25)15-18(14-19)24-28-23(27)26-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)26/h2-9,19-20H,10-15H2,1H3
InChIKey XEBZFSJGWSWFID-UHFFFAOYSA-N
Molecular Weight 375.472 g/mol
SMILES C1=CC=C2N(C(ON=C3CC4CCC(N4C)C3)=O)C=3C(=CC=CC3)CCC2=C1