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6-(Methoxycarbonyl)-1-(p-methylphenyl)-1,2,3,5-tetrahydroimidazo[2,3-b]-(1,3)-benzodiazocine
SpectraBase Compound ID ETZvtfW3wtB
InChI InChI=1S/C21H21N3O2/c1-15-7-9-18(10-8-15)24-12-11-23-14-17(20(25)26-2)13-16-5-3-4-6-19(16)22-21(23)24/h3-10,13H,11-12,14H2,1-2H3/b17-13+,22-21+
InChIKey DFMADCPKHCGVCM-VRUOMWOPSA-N
Mol Weight 347.42 g/mol
Molecular Formula C21H21N3O2
Exact Mass 347.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CWQvmO51Y7
Name 6-(Methoxycarbonyl)-1-(p-methylphenyl)-1,2,3,5-tetrahydroimidazo[2,3-b]-(1,3)-benzodiazocine
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Formula C21H21N3O2
InChI InChI=1S/C21H21N3O2/c1-15-7-9-18(10-8-15)24-12-11-23-14-17(20(25)26-2)13-16-5-3-4-6-19(16)22-21(23)24/h3-10,13H,11-12,14H2,1-2H3/b17-13+,22-21+
InChIKey DFMADCPKHCGVCM-VRUOMWOPSA-N
Molecular Weight 347.418 g/mol
SMILES c12\N=C/3N(C\C(=C/c2cccc1)C(=O)OC)CCN3c1ccc(cc1)C
SPLASH splash10-000i-0190000000-486f414baa5e987496f6
Source of Spectrum AJ-41-802-13
Synonyms Methyl 1-(4-methylphenyl)-1,2,3,5-tetrahydroimidazo[2,1-b][1,3]benzodiazocine-6-carboxylate
Wiley ID 1567698