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2-Chloro-5,11-dihydro-11-ethyl-8-hydroxymethyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
SpectraBase Compound ID CEByjONsAvz
InChI InChI=1S/C15H15ClN4O2/c1-3-20-13-10(5-9(7-21)6-17-13)15(22)19-12-8(2)4-11(16)18-14(12)20/h4-6,21H,3,7H2,1-2H3,(H,19,22)
InChIKey UOEJDOSDPIIQSB-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C15H15ClN4O2
Exact Mass 318.088353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jGKZT3QIbz
Name 2-Chloro-5,11-dihydro-11-ethyl-8-hydroxymethyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Appearance White solid
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Formula C15H15ClN4O2
InChI InChI=1S/C15H15ClN4O2/c1-3-20-13-10(5-9(7-21)6-17-13)15(22)19-12-8(2)4-11(16)18-14(12)20/h4-6,21H,3,7H2,1-2H3,(H,19,22)
InChIKey UOEJDOSDPIIQSB-UHFFFAOYSA-N
Instrument Name Finnigan Polaris GCQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.36
Reported Formula C15H15N4O2Cl
SMILES N1C(c2c(ncc(CO)c2)N(c2c1c(cc(Cl)n2)C)CC)=O
SPLASH splash10-014l-0079000000-f7e237f7998d68d6bef3
Source of Spectrum BJO-5-SM11-22b
Wiley ID 1871608