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9,10,11,12-Tetrachloro-2,7-azepinobenzodioxin-N-carboxylic acid ethyl ester
SpectraBase Compound ID 8JGzeQRwcQe
InChI InChI=1S/C15H11Cl4NO4/c1-2-22-15(21)20-7-5-3-4-6-8(20)24-14-12(19)10(17)9(16)11(18)13(14)23-7/h3-8H,2H2,1H3/t7-,8+
InChIKey WKVLZMZKNSYAMZ-OCAPTIKFSA-N
Mol Weight 411.1 g/mol
Molecular Formula C15H11Cl4NO4
Exact Mass 408.944219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDyyqJQXt2x
Name 9,10,11,12-Tetrachloro-2,7-azepinobenzodioxin-N-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl4NO4
InChI InChI=1S/C15H11Cl4NO4/c1-2-22-15(21)20-7-5-3-4-6-8(20)24-14-12(19)10(17)9(16)11(18)13(14)23-7/h3-8H,2H2,1H3/t7-,8+
InChIKey WKVLZMZKNSYAMZ-OCAPTIKFSA-N
Molecular Weight 411.068 g/mol
SMILES [C@]12(N([C@](Oc3c(c(c(c(c3O2)Cl)Cl)Cl)Cl)(C=CC=C1)[H])C(=O)OCC)[H]
SPLASH splash10-0006-9100000000-1c11ce816d401c962dda
Source of Spectrum O1-59-273-3
Wiley ID 1591933