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1H-dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3,7,8-tetramethyl-11-(5-nitro-2-thienyl)-
SpectraBase Compound ID Da8fMghv0iU
InChI InChI=1S/C21H23N3O3S/c1-11-7-13-14(8-12(11)2)23-20(17-5-6-18(28-17)24(26)27)19-15(22-13)9-21(3,4)10-16(19)25/h5-8,20,22-23H,9-10H2,1-4H3
InChIKey YQUXWNJXUAXPHQ-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J707sAS2673
Name 2,3,9,9-tetramethyl-6-(5-nitro-2-thienyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Alternate Name(s) 2,3,9,9-tetramethyl-6-(5-nitro-2-thiophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one 2,3,9,9-tetramethyl-6-(5-nitrothiophen-2-yl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
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Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-11-7-13-14(8-12(11)2)23-20(17-5-6-18(28-17)24(26)27)19-15(22-13)9-21(3,4)10-16(19)25/h5-8,20,22-23H,9-10H2,1-4H3
InChIKey YQUXWNJXUAXPHQ-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
SMILES N1c2cc(c(cc2NC2=C(C1c1sc(N(=O)=O)cc1)C(CC(C)(C)C2)=O)C)C
SPLASH splash10-0uxs-1498000000-a101c1925c708cdfe17c
Wiley ID 1455048