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5-(7-Chloro-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID 7k2RNwi2xIL
InChI InChI=1S/C21H21ClN2O5/c1-21(2)8-12(25)16-14(9-21)29-13-6-5-10(22)7-11(13)15(16)17-18(26)23(3)20(28)24(4)19(17)27/h5-7,15,17H,8-9H2,1-4H3
InChIKey BSTZAEUFWRHJAE-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 145d9fv7jsY
Name 5-(7-Chloro-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
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Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/c1-21(2)8-12(25)16-14(9-21)29-13-6-5-10(22)7-11(13)15(16)17-18(26)23(3)20(28)24(4)19(17)27/h5-7,15,17H,8-9H2,1-4H3
InChIKey BSTZAEUFWRHJAE-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s00706-015-1512-x
Molecular Weight 416.861 g/mol
SMILES C1(C=2C(CC(CC2Oc2ccc(cc12)Cl)(C)C)=O)C1C(N(C(N(C1=O)C)=O)C)=O
SPLASH splash10-08fv-5490000000-eb727aa0edab0d504f18
Source of Spectrum AH-146-1693-4e
Wiley ID 1801958