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(5R,6S)-10,12-Diaza-10,12-dimethyl-6-phenyltricyclo[6.4.0.0(1,5)]dodeca-3,7-dien-9,11-dione 2,2,2,trifluoroacetate
SpectraBase Compound ID EMeptwwyS00
InChI InChI=1S/C18H18N2O2/c1-19-16(21)15-11-13(12-7-4-3-5-8-12)14-9-6-10-18(14,15)20(2)17(19)22/h3-9,11,13-14H,10H2,1-2H3/t13-,14-,18?/m1/s1
InChIKey SQKQBETYGASRKM-LPOUJYBBSA-N
Mol Weight 294.35 g/mol
Molecular Formula C18H18N2O2
Exact Mass 294.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnsYMKdivFJ
Name (5R,6S)-10,12-Diaza-10,12-dimethyl-6-phenyltricyclo[6.4.0.0(1,5)]dodeca-3,7-dien-9,11-dione 2,2,2,trifluoroacetate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O2
InChI InChI=1S/C18H18N2O2/c1-19-16(21)15-11-13(12-7-4-3-5-8-12)14-9-6-10-18(14,15)20(2)17(19)22/h3-9,11,13-14H,10H2,1-2H3/t13-,14-,18?/m1/s1
InChIKey SQKQBETYGASRKM-LPOUJYBBSA-N
Molecular Weight 294.354 g/mol
SMILES C=12C3(N(C)C(N(C2=O)C)=O)[C@@](C=CC3)([H])[C@](C1)(c1ccccc1)[H]
SPLASH splash10-0006-0090000000-eccbe8402cf9ec39627d
Source of Spectrum H1-49-62-8
Synonyms (6S,6aR)-1,3-dimethyl-6-phenyl-6a,9-dihydro-1H-pentaleno[6a,1-d]pyrimidine-2,4(3H,6H)-dione 10,12-Diaza-10,12-dimethyl-6-phenyltricyclo[6.4.0.0(1,5)]dodeca-3,7-dien-9,11-dione 2,2,2,trifluoroacetate 3aR,4S)-7,9-Dimethyl-4-phenyl-3a,4-dihydro-1H-7,9-diaza-cyclopenta[c]indene-6,8-dione
Wiley ID 816730