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9-(3,4-dimethoxyphenyl)-6-(5-methyl-2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SpectraBase Compound ID L3zeCtTDuHE
InChI InChI=1S/C26H26N2O3S/c1-15-8-11-24(32-15)26-25-20(27-18-6-4-5-7-19(18)28-26)12-17(13-21(25)29)16-9-10-22(30-2)23(14-16)31-3/h4-11,14,17,26-28H,12-13H2,1-3H3
InChIKey SQPJLGCMLIETMA-UHFFFAOYSA-N
Mol Weight 446.57 g/mol
Molecular Formula C26H26N2O3S
Exact Mass 446.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ow2VYwv2Vd
Name 9-(3,4-dimethoxyphenyl)-6-(5-methyl-2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Alternate Name(s) 9-(3,4-dimethoxyphenyl)-6-(5-methyl-2-thiophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-(3,4-dimethoxyphenyl)-6-(5-methylthiophen-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C26H26N2O3S
InChI InChI=1S/C26H26N2O3S/c1-15-8-11-24(32-15)26-25-20(27-18-6-4-5-7-19(18)28-26)12-17(13-21(25)29)16-9-10-22(30-2)23(14-16)31-3/h4-11,14,17,26-28H,12-13H2,1-3H3
InChIKey SQPJLGCMLIETMA-UHFFFAOYSA-N
Molecular Weight 446.565 g/mol
SMILES N1c2ccccc2NC2=C(C1c1sc(C)cc1)C(CC(c1cc(OC)c(cc1)OC)C2)=O
SPLASH splash10-0f7n-8982100000-7a90fc8aede4def95916
Wiley ID 1448205