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4-Bromo-8-methoxy-3-(3,4-dimethoxyphenyl-3,4-dihydro-1H-3,4-dihydrobenzo[c]pyran-1-one
SpectraBase Compound ID HOnmCLXUE95
InChI InChI=1S/C18H17BrO5/c1-21-12-8-7-10(9-14(12)23-3)17-16(19)11-5-4-6-13(22-2)15(11)18(20)24-17/h4-9,16-17H,1-3H3/t16-,17+/m0/s1
InChIKey MUUKMKJPHLMUAN-DLBZAZTESA-N
Mol Weight 393.23 g/mol
Molecular Formula C18H17BrO5
Exact Mass 392.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSY53PPvK7q
Name 4-Bromo-8-methoxy-3-(3,4-dimethoxyphenyl-3,4-dihydro-1H-3,4-dihydrobenzo[c]pyran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H17BrO5
InChI InChI=1S/C18H17BrO5/c1-21-12-8-7-10(9-14(12)23-3)17-16(19)11-5-4-6-13(22-2)15(11)18(20)24-17/h4-9,16-17H,1-3H3/t16-,17+/m0/s1
InChIKey MUUKMKJPHLMUAN-DLBZAZTESA-N
Molecular Weight 393.233 g/mol
SMILES C1(c2c(cccc2OC)[C@@]([C@](O1)(c1cc(OC)c(cc1)OC)[H])(Br)[H])=O
SPLASH splash10-0006-0900000000-dc40101bf5b3c42f9650
Source of Spectrum E1-44-1896-19
Synonyms (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydroisochromen-1-one (3R,4S)-4-bromanyl-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydroisochromen-1-one
Wiley ID 1553580