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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-(hydroxymethyl)-3,8-dimethoxy-1,6,9-trimethyl-11-oxo-, methyl ester
SpectraBase Compound ID HgE424rBQBT
InChI InChI=1S/C21H22O8/c1-9-7-13(25-4)12(8-22)19-14(9)21(24)29-18-11(3)16(26-5)15(20(23)27-6)10(2)17(18)28-19/h7,22H,8H2,1-6H3
InChIKey DYQQZLAJNMVZPZ-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ucFV6DhfxM
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-(hydroxymethyl)-3,8-dimethoxy-1,6,9-trimethyl-11-oxo-, methyl ester
CAS Registry Number 78023-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-9-7-13(25-4)12(8-22)19-14(9)21(24)29-18-11(3)16(26-5)15(20(23)27-6)10(2)17(18)28-19/h7,22H,8H2,1-6H3
InChIKey DYQQZLAJNMVZPZ-UHFFFAOYSA-N
Molecular Weight 402.399 g/mol
SMILES OCc1c2c(C(Oc3c(O2)c(c(c(OC)c3C)C(=O)OC)C)=O)c(C)cc1OC
SPLASH splash10-0uk9-0205900000-d083d356bbca9fc2d3d8
Source of Spectrum KC-1981-881-0
Synonyms Methyl 4-(hydroxymethyl)-3,8-dimethoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate Methyl 4-hydroxymethyl-3,8-dimethoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 1370292