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(3R,4S)-5-Bromo-8-methoxy-4-[(2-methoxyethoxy)methoxy]-3-methyl-3,4-dihydro-1H-xanthen-1,9(2H)-dione
SpectraBase Compound ID 9KXMZBWKvId
InChI InChI=1S/C19H21BrO7/c1-10-8-12(21)14-16(22)15-13(24-3)5-4-11(20)18(15)27-19(14)17(10)26-9-25-7-6-23-2/h4-5,10,17H,6-9H2,1-3H3/t10-,17+/m1/s1
InChIKey BIIMNMWFXPIYCQ-QGHHPUGFSA-N
Mol Weight 441.27 g/mol
Molecular Formula C19H21BrO7
Exact Mass 440.047066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OWQYLroMM
Name (3R,4S)-5-Bromo-8-methoxy-4-[(2-methoxyethoxy)methoxy]-3-methyl-3,4-dihydro-1H-xanthen-1,9(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrO7
InChI InChI=1S/C19H21BrO7/c1-10-8-12(21)14-16(22)15-13(24-3)5-4-11(20)18(15)27-19(14)17(10)26-9-25-7-6-23-2/h4-5,10,17H,6-9H2,1-3H3/t10-,17+/m1/s1
InChIKey BIIMNMWFXPIYCQ-QGHHPUGFSA-N
Molecular Weight 441.274 g/mol
SMILES C12=C(Oc3c(C2=O)c(ccc3Br)OC)[C@@](OCOCCOC)([C@@](CC1=O)(C)[H])[H]
SPLASH splash10-0a4i-9003100000-314229d6beaa9387fd78
Source of Spectrum U1-2014-4872-58
Synonyms (3R,4S)-5-bromo-8-methoxy-4-((2-methoxyethoxy)methoxy)-3-methyl-3,4-dihydro-1H-xanthene-1,9(2H)-dione
Wiley ID 1740773