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(3S)-3-(benzyl)-4-methyl-2-(methylthio)-3H-1,4-benzodiazepin-5-one
SpectraBase Compound ID GnazPMQoXIJ
InChI InChI=1S/C18H18N2OS/c1-20-16(12-13-8-4-3-5-9-13)17(22-2)19-15-11-7-6-10-14(15)18(20)21/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKey GAKPXSLTCHIVJB-INIZCTEOSA-N
Mol Weight 310.42 g/mol
Molecular Formula C18H18N2OS
Exact Mass 310.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FX0u1l1nJKV
Name (3S)-3-(benzyl)-4-methyl-2-(methylthio)-3H-1,4-benzodiazepin-5-one
Compound Number 11
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Formula C18H18N2OS
InChI InChI=1S/C18H18N2OS/c1-20-16(12-13-8-4-3-5-9-13)17(22-2)19-15-11-7-6-10-14(15)18(20)21/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKey GAKPXSLTCHIVJB-INIZCTEOSA-N
Literature Reference Author H.H.SUN,C.J.BARROW,R.COOPER
Literature Reference Citation J.NAT.PROD.,58,1575(1995)
Literature Reference DOI 10.1021/np50124a015
Molecular Weight 310.414 g/mol
Solvent DMSO-D6
Source File Reference UWGE2045