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6-Cyclohexyl-2-methoxy-3,9-dimethyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID K2kwIpsWBXu
InChI InChI=1S/C16H24N4O3/c1-18-10-13(21)20(11-7-5-4-6-8-11)9-12-14(18)17-16(23-3)19(2)15(12)22/h11H,4-10H2,1-3H3
InChIKey ZTSTWAGOHYXNGG-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C16H24N4O3
Exact Mass 320.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55ZWDlV4HD6
Name 6-Cyclohexyl-2-methoxy-3,9-dimethyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Colourless solid
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Formula C16H24N4O3
InChI InChI=1S/C16H24N4O3/c1-18-10-13(21)20(11-7-5-4-6-8-11)9-12-14(18)17-16(23-3)19(2)15(12)22/h11H,4-10H2,1-3H3
InChIKey ZTSTWAGOHYXNGG-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 320.393 g/mol
Reported Formula C16H24N4O3
SMILES C=1(N(C(C2=C(N1)N(CC(N(C2)C1CCCCC1)=O)C)=O)C)OC
SPLASH splash10-0007-0922000000-881b7b98a375e625ec14
Source of Spectrum AJC-12-SM128-11d
Wiley ID 1857359