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11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 8WUrBCgiBBe
InChI InChI=1S/C22H22N2O3/c1-22(2)10-16-20(17(25)11-22)21(24-15-6-4-3-5-14(15)23-16)13-7-8-18-19(9-13)27-12-26-18/h3-9,21,23-24H,10-12H2,1-2H3
InChIKey ZQKBFEWLMICUNK-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CU5OBeyLBly
Name 11-(1,3-Benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[B,E][1,4]diazepin-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.163042573 u
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-22(2)10-16-20(17(25)11-22)21(24-15-6-4-3-5-14(15)23-16)13-7-8-18-19(9-13)27-12-26-18/h3-9,21,23-24H,10-12H2,1-2H3
InChIKey ZQKBFEWLMICUNK-UHFFFAOYSA-N
Molecular Weight 362.429 g/mol
SMILES N1C=2C=CC=CC2NC(C2=C1CC(CC2=O)(C)C)C1=CC=2OCOC2C=C1