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6-Benzyl-8-ethyl-2-methoxy-3-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID 2dcPKfCBJoj
InChI InChI=1S/C18H22N4O3/c1-4-14-17(24)22(10-12-8-6-5-7-9-12)11-13-15(19-14)20-18(25-3)21(2)16(13)23/h5-9,14,19H,4,10-11H2,1-3H3
InChIKey KSRFBPPIILMDHF-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiRYeWpLfjS
Name 6-Benzyl-8-ethyl-2-methoxy-3-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Colourless solid
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Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c1-4-14-17(24)22(10-12-8-6-5-7-9-12)11-13-15(19-14)20-18(25-3)21(2)16(13)23/h5-9,14,19H,4,10-11H2,1-3H3
InChIKey KSRFBPPIILMDHF-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 342.399 g/mol
Reported Formula C18H22N4O3
SMILES N1C(C(N(CC=2C(N(C(=NC12)OC)C)=O)Cc1ccccc1)=O)CC
SPLASH splash10-053u-2972000000-76c383443dcc9ddb974e
Source of Spectrum AJC-12-SM118-8h
Wiley ID 1857401