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1-(4'-Chlorophenyl)-3-(ethoxycarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
SpectraBase Compound ID KKc3U8RvIVm
InChI InChI=1S/C18H14ClN5O3/c1-2-27-17(26)15-21-23(12-9-7-11(19)8-10-12)18-20-14-6-4-3-5-13(14)16(25)24(18)22-15/h3-10H,2H2,1H3,(H,21,22)
InChIKey VBAXAMYMPGAJGW-UHFFFAOYSA-N
Mol Weight 383.8 g/mol
Molecular Formula C18H14ClN5O3
Exact Mass 383.078517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mVuWfTkH9K
Name 1-(4'-Chlorophenyl)-3-(ethoxycarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
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Formula C18H14ClN5O3
InChI InChI=1S/C18H14ClN5O3/c1-2-27-17(26)15-21-23(12-9-7-11(19)8-10-12)18-20-14-6-4-3-5-13(14)16(25)24(18)22-15/h3-10H,2H2,1H3,(H,21,22)
InChIKey VBAXAMYMPGAJGW-UHFFFAOYSA-N
Molecular Weight 383.795 g/mol
SMILES N1N2C(N(N=C1C(=O)OCC)c1ccc(cc1)Cl)=Nc1ccccc1C2=O
SPLASH splash10-0bu3-5649000000-9d29616b9af96dee5e9b
Source of Spectrum AH-132-963-6
Wiley ID 849840