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Retrojusticidin B
SpectraBase Compound ID 71BQhUnrBdk
InChI InChI=1S/C21H16O6/c1-23-17-7-12-5-14-15(9-25-21(14)22)20(13(12)8-18(17)24-2)11-3-4-16-19(6-11)27-10-26-16/h3-8H,9-10H2,1-2H3
InChIKey TXDMVCNSUVLKHW-UHFFFAOYSA-N
Mol Weight 364.35 g/mol
Molecular Formula C21H16O6
Exact Mass 364.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC6tdn4hekk
Name Retrojusticidin B
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benz[f]isobenzofuran-1-one 4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-6,7-dimethoxy-3-hydrobenzo[f]isobenzofuran-1-one
CAS Registry Number 82001-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O6
InChI InChI=1S/C21H16O6/c1-23-17-7-12-5-14-15(9-25-21(14)22)20(13(12)8-18(17)24-2)11-3-4-16-19(6-11)27-10-26-16/h3-8H,9-10H2,1-2H3
InChIKey TXDMVCNSUVLKHW-UHFFFAOYSA-N
Molecular Weight 364.353 g/mol
SMILES c12c(c3cc(OC)c(cc3cc2C(=O)OC1)OC)-c1cc2OCOc2cc1
SPLASH splash10-03di-0009000000-17a549c4e5ebcce2c31e
Source of Spectrum X2-58-248-4
Wiley ID 1605847