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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2-chloro-3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
SpectraBase Compound ID IESWZDZlHw8
InChI InChI=1S/C19H17ClO7/c1-6-11-15(9(4)14(22)12(6)20)26-16-7(2)10(18(23)25-5)13(21)8(3)17(16)27-19(11)24/h21-22H,1-5H3
InChIKey JQJKBBTUDUHIPR-UHFFFAOYSA-N
Mol Weight 392.79 g/mol
Molecular Formula C19H17ClO7
Exact Mass 392.066281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YP0eeRnytu
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2-chloro-3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
Alternate Name(s) Hypophysciosporin Methyl 2-chloro-3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
CAS Registry Number 64662-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClO7
InChI InChI=1S/C19H17ClO7/c1-6-11-15(9(4)14(22)12(6)20)26-16-7(2)10(18(23)25-5)13(21)8(3)17(16)27-19(11)24/h21-22H,1-5H3
InChIKey JQJKBBTUDUHIPR-UHFFFAOYSA-N
Molecular Weight 392.791 g/mol
SMILES Oc1c(c(c2Oc3c(c(c(c(c3C)O)Cl)C)C(Oc2c1C)=O)C)C(=O)OC
SPLASH splash10-003u-8159000000-8a9a692a0b156672556a
Source of Spectrum I-55-2843-0
Wiley ID 1365671