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3-(3,4-Dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID BspGFi6ic8q
InChI InChI=1S/C31H34N2O5/c1-5-14-38-27-13-11-20(18-29(27)37-4)31-30-24(32-22-8-6-7-9-23(22)33-31)15-21(16-25(30)34)19-10-12-26(35-2)28(17-19)36-3/h6-13,17-18,21,31-33H,5,14-16H2,1-4H3
InChIKey CGQMHJHGBQLKRT-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C31H34N2O5
Exact Mass 514.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR0c4XPESTY
Name 3-(3,4-Dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-(3,4-dimethoxyphenyl)-6-(3-methoxy-4-propoxy-phenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34N2O5
InChI InChI=1S/C31H34N2O5/c1-5-14-38-27-13-11-20(18-29(27)37-4)31-30-24(32-22-8-6-7-9-23(22)33-31)15-21(16-25(30)34)19-10-12-26(35-2)28(17-19)36-3/h6-13,17-18,21,31-33H,5,14-16H2,1-4H3
InChIKey CGQMHJHGBQLKRT-UHFFFAOYSA-N
Molecular Weight 514.622 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1cc(OC)c(cc1)OCCC
SPLASH splash10-0002-1549110000-009f007acae0a47b8710
Wiley ID 1455047