For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-isobenzo[furo[4,5-b]-(1,4)]-benzodioxepin-1-carboxylate
SpectraBase Compound ID BTMjQZ1cLT7
InChI InChI=1S/C20H16O10/c1-7-5-9(25-3)6-10-11(7)17(22)28-15-8(2)14(21)12-13(16(15)27-10)19(29-18(12)23)30-20(24)26-4/h5-6,19,21H,1-4H3
InChIKey LWRGQQUEOIJJCI-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C20H16O10
Exact Mass 416.074347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EzA6tiODdwJ
Name Methyl 1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-isobenzo[furo[4,5-b]-(1,4)]-benzodioxepin-1-carboxylate
Alternate Name(s) 4-Hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]inden-1-yl methyl carbonate Lusitanic acid-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O10
InChI InChI=1S/C20H16O10/c1-7-5-9(25-3)6-10-11(7)17(22)28-15-8(2)14(21)12-13(16(15)27-10)19(29-18(12)23)30-20(24)26-4/h5-6,19,21H,1-4H3
InChIKey LWRGQQUEOIJJCI-UHFFFAOYSA-N
Molecular Weight 416.338 g/mol
SMILES Oc1c2c(c3Oc4c(c(C)cc(c4)OC)C(Oc3c1C)=O)C(OC(=O)OC)OC2=O
SPLASH splash10-0a4j-3900000000-2f21f96c73826448deb2
Source of Spectrum B-53-817-10
Wiley ID 810994