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Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-1,2,3-trimethoxy-8-oxo-, stereoisomer
SpectraBase Compound ID 4589OlKnzRI
InChI InChI=1S/C21H20O8/c1-25-17-6-10-4-11(21(23)24)5-14(22)12-7-15-16(29-9-28-15)8-13(12)18(10)20(27-3)19(17)26-2/h6-8,11H,4-5,9H2,1-3H3,(H,23,24)
InChIKey QXXODWCTKKCFHA-UHFFFAOYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAWFvPZxvJ7
Name Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-1,2,3-trimethoxy-8-oxo-, stereoisomer
CAS Registry Number 65310-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-25-17-6-10-4-11(21(23)24)5-14(22)12-7-15-16(29-9-28-15)8-13(12)18(10)20(27-3)19(17)26-2/h6-8,11H,4-5,9H2,1-3H3,(H,23,24)
InChIKey QXXODWCTKKCFHA-UHFFFAOYSA-N
Molecular Weight 400.383 g/mol
SMILES OC(C1CC(c2c(-c3c(c(OC)c(cc3C1)OC)OC)cc1c(OCO1)c2)=O)=O
SPLASH splash10-0a4i-0091300000-2071fc6cb7e3850e79b6
Source of Spectrum KC-1977-1680-0
Synonyms 1,2,3-trimethoxy-8-oxo-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6-carboxylic acid 5,6,7,8-Tetrahydro-1,2,3-trimethyoxy-10,11-methylenedioxy-8-oxodibenzo[a,c]cyclooctene-6-carboxylic acid (isomer a)
Wiley ID 1369328