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4-(4-CHLOROPHENYL)-2-METHYL-1,3-DIOXO-3A,4,11A,11B-TETRAHYDROPYRROLO-[3,4-C]-XANTHONE
SpectraBase Compound ID CjoooK9MzGn
InChI InChI=1S/C22H16ClNO4/c1-24-21(26)17-14(11-6-8-12(23)9-7-11)10-15-19(25)13-4-2-3-5-16(13)28-20(15)18(17)22(24)27/h2-10,14,17-18,20H,1H3/t14-,17-,18-,20+/m1/s1
InChIKey LTYOQNZVTWAPRF-ZESCBINXSA-N
Mol Weight 393.83 g/mol
Molecular Formula C22H16ClNO4
Exact Mass 393.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENEp5SaCZI1
Name 4-(p-Chlorophenyl)-2-methyl-1,3-dioxopyrrolo[3,4-c]-(3a,4,11a,11b)-tetrahydroxanthone
Alternate Name(s) (3aR,4S,11aR,11bR)-4-(4-chlorophenyl)-2-methyl-3a,4,11a,11b-tetrahydro[1]benzopyrano[2,3-e]isoindole-1,3,6-trione (3aR,4S,11aR,11bR)-4-(4-chlorophenyl)-2-methyl-3a,4,11a,11b-tetrahydrochromeno[2,3-e]isoindole-1,3,6-trione
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Formula C22H16ClNO4
InChI InChI=1S/C22H16ClNO4/c1-24-21(26)17-14(11-6-8-12(23)9-7-11)10-15-19(25)13-4-2-3-5-16(13)28-20(15)18(17)22(24)27/h2-10,14,17-18,20H,1H3/t14-,17-,18-,20+/m1/s1
InChIKey LTYOQNZVTWAPRF-ZESCBINXSA-N
Molecular Weight 393.826 g/mol
SMILES C1=2[C@@]([C@@]3(C(N(C)C([C@@]3([C@](C2)(c2ccc(cc2)Cl)[H])[H])=O)=O)[H])(Oc2c(C1=O)cccc2)[H]
SPLASH splash10-006x-1759000000-0909b7b4e41feb4f32e2
Source of Spectrum D1-2003-1417-2
Wiley ID 1548356