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3-ETHOXYCARBONYL-4-(4-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
SpectraBase Compound ID BNrkNEGag0u
InChI InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-9,18,22H,5,10-11H2,1-4H3
InChIKey WVIDZHCBPBZVDK-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H24N2O5
Exact Mass 384.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZtTu4RIZG2
Name Ethyl 4-(4'-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Appearance Light yellow crystals
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Formula C21H24N2O5
InChI InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-9,18,22H,5,10-11H2,1-4H3
InChIKey WVIDZHCBPBZVDK-UHFFFAOYSA-N
Instrument Name Fison TRIO 2000 or FINNAGEN MAT DDQ 710
Ionization Type EI
Molecular Weight 384.432 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCC)=O)c1ccc(cc1)[N+]([O-])=O)C(CC(C2)(C)C)=O
SPLASH splash10-01q9-0294000000-d985702fd81242ed27c0
Source of Spectrum US20150175548A1
Wiley ID 1850493