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11H-Dibenzo[b,e][1,4]dioxepin-4,6-dicarboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
SpectraBase Compound ID L4uEYKT4YKe
InChI InChI=1S/C18H13ClO7/c1-7-11(24-3)4-9(5-20)16-15(7)26-18(23)12-8(2)13(19)14(22)10(6-21)17(12)25-16/h4-6,22H,1-3H3
InChIKey UNHNGRCYHNINRA-UHFFFAOYSA-N
Mol Weight 376.75 g/mol
Molecular Formula C18H13ClO7
Exact Mass 376.03498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9E8Jk8QAVad
Name 11H-Dibenzo[b,e][1,4]dioxepin-4,6-dicarboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
CAS Registry Number 131840-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClO7
InChI InChI=1S/C18H13ClO7/c1-7-11(24-3)4-9(5-20)16-15(7)26-18(23)12-8(2)13(19)14(22)10(6-21)17(12)25-16/h4-6,22H,1-3H3
InChIKey UNHNGRCYHNINRA-UHFFFAOYSA-N
Molecular Weight 376.748 g/mol
SMILES Oc1c(c(c2c(c1C=O)Oc1c(cc(c(c1OC2=O)C)OC)C=O)C)Cl
SPLASH splash10-029j-0915000000-d5e1ec9c8e9e725cb604
Source of Spectrum B-43-1956-3
Synonyms 2-Chloro-2,6-diformyl-3-hydroxy-8-methoxy-1,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one 2-Chloro-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4,6-dicarbaldehyde Phyllopsorin
Wiley ID 1357528