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1,3-Benzodioxole-5-carboxylic acid, [2-(6-bromo-1,3-benzodioxol-5-yl)tetrahydro-4-oxo-3-furanyl]methyl ester, (2S-trans)-
SpectraBase Compound ID EQHdBDNWOym
InChI InChI=1S/C20H15BrO8/c21-13-5-18-17(28-9-29-18)4-11(13)19-12(14(22)7-24-19)6-25-20(23)10-1-2-15-16(3-10)27-8-26-15/h1-5,12,19H,6-9H2/t12-,19+/m0/s1
InChIKey WDJFMRVFHCWNND-HXPMCKFVSA-N
Mol Weight 463.24 g/mol
Molecular Formula C20H15BrO8
Exact Mass 461.99503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OaIE4EkV0v
Name 1,3-Benzodioxole-5-carboxylic acid, [2-(6-bromo-1,3-benzodioxol-5-yl)tetrahydro-4-oxo-3-furanyl]methyl ester, (2S-trans)-
CAS Registry Number 58950-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrO8
InChI InChI=1S/C20H15BrO8/c21-13-5-18-17(28-9-29-18)4-11(13)19-12(14(22)7-24-19)6-25-20(23)10-1-2-15-16(3-10)27-8-26-15/h1-5,12,19H,6-9H2/t12-,19+/m0/s1
InChIKey WDJFMRVFHCWNND-HXPMCKFVSA-N
Molecular Weight 463.236 g/mol
SMILES c1([C@@]2([C@](C(=O)CO2)(COC(c2cc3OCOc3cc2)=O)[H])[H])c(cc2c(c1)OCO2)Br
SPLASH splash10-014j-0930000000-ba349b5703b89bef4cc9
Source of Spectrum F-33-140-0
Synonyms 2.alpha.-(6-bromo-3,4-methylenedioxyphenyl)-3.beta.-(2-(3,4-methylenedioxyphenyloxy)-2-oxo-ethyl)-4-oxo-tetrahydrofuran [(2S,3R)-2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxotetrahydro-3-furanyl]methyl 1,3-benzodioxole-5-carboxylate
Wiley ID 1390922