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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2-chloro-3-hydroxy-4-(hydroxymethyl)-8-methoxy-1,6,9-trimethyl-
SpectraBase Compound ID Lkyv4lTNUYy
InChI InChI=1S/C18H17ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5,20-21H,6H2,1-4H3
InChIKey ZHSAIRHXSVWVSH-UHFFFAOYSA-N
Mol Weight 364.78 g/mol
Molecular Formula C18H17ClO6
Exact Mass 364.071366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YeGGONhVm2
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2-chloro-3-hydroxy-4-(hydroxymethyl)-8-methoxy-1,6,9-trimethyl-
CAS Registry Number 131840-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO6
InChI InChI=1S/C18H17ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5,20-21H,6H2,1-4H3
InChIKey ZHSAIRHXSVWVSH-UHFFFAOYSA-N
Molecular Weight 364.781 g/mol
SMILES OCc1c2c(c(c(c1O)Cl)C)C(Oc1c(c(cc(c1O2)C)OC)C)=O
SPLASH splash10-01t9-0509000000-5ae99f6244686b7fceba
Source of Spectrum B-43-1957-11
Synonyms 2-Chloro-3-hydroxy-4-(hydroxymethyl)-8-methoxy-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one 2-Chloro-3-hydroxy-4-hydroxymethyl-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one (hypopannarin) Hypopannarin
Wiley ID 1350636