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METHYL-(7S*,8S*,8AR*)-3-BENZYL-8-PHENYL-7-NITRO-6-OXO-3,4,6,7,8-HEXAHYDROIMIDAZO-[4,5-F]-INDOLIZIN-8A-CARBOXYLATE
SpectraBase Compound ID LQsptgja6mV
InChI InChI=1S/C24H22N4O5/c1-33-23(30)24-12-18-19(26(15-25-18)13-16-8-4-2-5-9-16)14-27(24)22(29)21(28(31)32)20(24)17-10-6-3-7-11-17/h2-11,15,20-21H,12-14H2,1H3/t20-,21-,24+/m0/s1
InChIKey DCMXSUBAGZAMGR-AWRGLXIESA-N
Mol Weight 446.46 g/mol
Molecular Formula C24H22N4O5
Exact Mass 446.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D2zyQrGUCc
Name Methyl 3-benzyl-8-phenyl-7-nitro-6-oxo-3,4,6,7,8,9-hexahydroimidazo[4,5-f]indolizine-8a-carcoxylate
Alternate Name(s) (7S,8S,8aR)-7-nitro-6-oxo-8-phenyl-3-(phenylmethyl)-4,7,8,9-tetrahydroimidazo[4,5-f]indolizine-8a-carboxylic acid methyl ester Methyl (7S,8S,8aR)-3-benzyl-7-nitro-6-oxo-8-phenyl-4,7,8,9-tetrahydroimidazo[4,5-f]indolizine-8a-carboxylate Methyl (7S,8S,8aR)-7-nitro-6-oxidanylidene-8-phenyl-3-(phenylmethyl)-4,7,8,9-tetrahydroimidazo[4,5-f]indolizine-8a-carboxylate
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Formula C24H22N4O5
InChI InChI=1S/C24H22N4O5/c1-33-23(30)24-12-18-19(26(15-25-18)13-16-8-4-2-5-9-16)14-27(24)22(29)21(28(31)32)20(24)17-10-6-3-7-11-17/h2-11,15,20-21H,12-14H2,1H3/t20-,21-,24+/m0/s1
InChIKey DCMXSUBAGZAMGR-AWRGLXIESA-N
Molecular Weight 446.463 g/mol
SMILES [C@]12(N(C(=O)[C@]([C@@]2(c2ccccc2)[H])(N(=O)=O)[H])Cc2c(C1)nc[n]2Cc1ccccc1)C(=O)OC
SPLASH splash10-052f-9004300000-4555a1f9912b27e77ed8
Source of Spectrum Y4-40-922-9
Wiley ID 1567201