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LECIDEOIDIN

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LECIDEOIDIN
SpectraBase Compound ID 9khVCBqcn6M
InChI InChI=1S/C17H12Cl2O7/c1-5-9-8(4-7(20)11(5)18)25-14-6(2)10(16(22)24-3)13(21)12(19)15(14)26-17(9)23/h4,20-21H,1-3H3
InChIKey WHFFTLHZVRQSLW-UHFFFAOYSA-N
Mol Weight 399.18 g/mol
Molecular Formula C17H12Cl2O7
Exact Mass 397.996008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ogmmcMFXM
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2,9-dichloro-3,8-dihydroxy-1,6-dimethyl-11-oxo-, methyl ester
Alternate Name(s) Lecideoidin Methyl 2,9-dichloro-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
CAS Registry Number 72458-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Cl2O7
InChI InChI=1S/C17H12Cl2O7/c1-5-9-8(4-7(20)11(5)18)25-14-6(2)10(16(22)24-3)13(21)12(19)15(14)26-17(9)23/h4,20-21H,1-3H3
InChIKey WHFFTLHZVRQSLW-UHFFFAOYSA-N
Molecular Weight 399.182 g/mol
SMILES Oc1c(c(c2C(Oc3c(c(c(c(c3Cl)O)C(=O)OC)C)Oc2c1)=O)C)Cl
SPLASH splash10-0j59-0019000000-c3012a6aee4853080a67
Source of Spectrum B-32-1861-0
Wiley ID 1368177