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2-Methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-chlorobenzoate
SpectraBase Compound ID 5qcifHtjMho
InChI InChI=1S/C31H31ClO6/c1-30(2)13-20(33)27-24(15-30)37-25-16-31(3,4)14-21(34)28(25)26(27)17-10-11-22(23(12-17)36-5)38-29(35)18-8-6-7-9-19(18)32/h6-12,26H,13-16H2,1-5H3
InChIKey LSACDGVCMKTHFC-UHFFFAOYSA-N
Mol Weight 535.04 g/mol
Molecular Formula C31H31ClO6
Exact Mass 534.180916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53MARpNEVQQ
Name 2-Methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-chlorobenzoate
Alternate Name(s) 2-Chlorobenzoic acid [2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] ester [2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] 2-chlorobenzoate [2-methoxy-4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-xanthen-9-yl]phenyl] 2-chloranylbenzoate
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Formula C31H31ClO6
InChI InChI=1S/C31H31ClO6/c1-30(2)13-20(33)27-24(15-30)37-25-16-31(3,4)14-21(34)28(25)26(27)17-10-11-22(23(12-17)36-5)38-29(35)18-8-6-7-9-19(18)32/h6-12,26H,13-16H2,1-5H3
InChIKey LSACDGVCMKTHFC-UHFFFAOYSA-N
Molecular Weight 535.036 g/mol
SMILES C1=2C(C=3C(CC(CC3OC2CC(CC1=O)(C)C)(C)C)=O)c1cc(OC)c(OC(c2c(Cl)cccc2)=O)cc1
SPLASH splash10-000i-1911000000-95bce49ac8c404e4fa6e
Wiley ID 1442246