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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-(hydroxymethyl)-3,8-dimethoxy-1,4,6-trimethyl-11-oxo-, methyl ester
SpectraBase Compound ID 3DZ4qqiexLQ
InChI InChI=1S/C21H22O8/c1-9-7-13(25-4)10(2)16-14(9)21(24)29-19-12(8-22)18(26-5)15(20(23)27-6)11(3)17(19)28-16/h7,22H,8H2,1-6H3
InChIKey NAYZYBBWSUCAFS-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 GvdvKxNwYrh
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-(hydroxymethyl)-3,8-dimethoxy-1,4,6-trimethyl-11-oxo-, methyl ester
CAS Registry Number 78023-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-9-7-13(25-4)10(2)16-14(9)21(24)29-19-12(8-22)18(26-5)15(20(23)27-6)11(3)17(19)28-16/h7,22H,8H2,1-6H3
InChIKey NAYZYBBWSUCAFS-UHFFFAOYSA-N
Molecular Weight 402.399 g/mol
SMILES OCc1c2c(Oc3c(c(OC)cc(c3C(O2)=O)C)C)c(C)c(c1OC)C(=O)OC
SPLASH splash10-0f6x-0309600000-39507a024a4457417957
Source of Spectrum KC-1981-881-0
Synonyms Methyl 9-(hydroxymethyl)-3,8-dimethoxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate Methyl 9-hydroxymethyl-3,8-dimethoxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 1370293