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3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzenesulfonate
SpectraBase Compound ID 2ZrEW5KkAQF
InChI InChI=1S/C16H9Cl2NO7S/c1-8-11-4-2-9(6-14(11)25-16(20)15(8)18)26-27(23,24)10-3-5-12(17)13(7-10)19(21)22/h2-7H,1H3
InChIKey RBFVQMZQKLKXRQ-UHFFFAOYSA-N
Mol Weight 430.21 g/mol
Molecular Formula C16H9Cl2NO7S
Exact Mass 428.947678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DkmDlxbudC
Name 3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9Cl2NO7S
InChI InChI=1S/C16H9Cl2NO7S/c1-8-11-4-2-9(6-14(11)25-16(20)15(8)18)26-27(23,24)10-3-5-12(17)13(7-10)19(21)22/h2-7H,1H3
InChIKey RBFVQMZQKLKXRQ-UHFFFAOYSA-N
Molecular Weight 430.214 g/mol
SMILES c1(cc(c(cc1)Cl)[N+](=O)[O-])S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)Cl)C
SPLASH splash10-0bw9-4790400000-92ff103b383d43a40eb5
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816404