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2,4-Dimethyl-5a-phenyl-2,4-diaza-1,2,3,4,5a,7,8,9,10,10a-decahydro-6H-cyclohepta[b]benzofuran-1,3-dione
SpectraBase Compound ID J38MSHl22Px
InChI InChI=1S/C19H22N2O3/c1-20-16(22)15-14-11-7-4-8-12-19(14,13-9-5-3-6-10-13)24-17(15)21(2)18(20)23/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14-,19+/m0/s1
InChIKey KRQWEAZSYJXVEG-IFXJQAMLSA-N
Mol Weight 326.4 g/mol
Molecular Formula C19H22N2O3
Exact Mass 326.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gqIFVKUABL
Name 2,4-Dimethyl-5a-phenyl-2,4-diaza-1,2,3,4,5a,7,8,9,10,10a-decahydro-6H-cyclohepta[b]benzofuran-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C19H22N2O3
InChI InChI=1S/C19H22N2O3/c1-20-16(22)15-14-11-7-4-8-12-19(14,13-9-5-3-6-10-13)24-17(15)21(2)18(20)23/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14-,19+/m0/s1
InChIKey KRQWEAZSYJXVEG-IFXJQAMLSA-N
Molecular Weight 326.396 g/mol
SMILES C12=C(N(C)C(N(C2=O)C)=O)O[C@@]2([C@]1(CCCCC2)[H])c1ccccc1
SPLASH splash10-004i-0309000000-a4fa64a125981dd70f08
Source of Spectrum O1-54-179-5
Synonyms (4bS,9aS)-1,3-dimethyl-9a-phenyl-4b,5,6,7,8,9-hexahydrocyclohepta[1,2]furo[3,4-b]pyrimidine-2,4-dione
Wiley ID 1590961