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SUBSTICTIC-ACID
SpectraBase Compound ID G0ZCDE5pSWN
InChI InChI=1S/C18H12O9/c1-6-3-9(24-2)7(5-19)14-11(6)16(21)25-10-4-8(20)12-13(15(10)26-14)18(23)27-17(12)22/h3-5,18,20,23H,1-2H3
InChIKey KBYOEKUEXKSANA-UHFFFAOYSA-N
Mol Weight 372.29 g/mol
Molecular Formula C18H12O9
Exact Mass 372.048132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKvbrSO2SMj
Name 7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-8-methyl-3,7-dioxo-
CAS Registry Number 111699-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12O9
InChI InChI=1S/C18H12O9/c1-6-3-9(24-2)7(5-19)14-11(6)16(21)25-10-4-8(20)12-13(15(10)26-14)18(23)27-17(12)22/h3-5,18,20,23H,1-2H3
InChIKey KBYOEKUEXKSANA-UHFFFAOYSA-N
Molecular Weight 372.285 g/mol
SMILES OC1c2c(c(cc3OC(c4c(Oc23)c(c(cc4C)OC)C=O)=O)O)C(O1)=O
SPLASH splash10-0ffx-0329000000-046fc9fea00a1e3f7191
Source of Spectrum B-40-422-7
Synonyms (1,4-dihydroxy-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-1]-carbaldehyde) 1,4-Dihydroxy-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde Substictic acid substictic acid $$ (1,4-dihydroxy-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-1]-carbaldehyde) Substictic acid (1,4-dihydroxy-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-1]-carbaldehyde)
Wiley ID 1355285