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4-Methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitro benzenesulfonate
SpectraBase Compound ID 8F8OWXk9WUp
InChI InChI=1S/C16H10ClNO7S/c1-9-6-16(19)24-15-7-10(2-4-12(9)15)25-26(22,23)11-3-5-13(17)14(8-11)18(20)21/h2-8H,1H3
InChIKey ZNXYQKZDMPITIA-UHFFFAOYSA-N
Mol Weight 395.77 g/mol
Molecular Formula C16H10ClNO7S
Exact Mass 394.986651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cKZsGWP2Q1
Name 4-Methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitro benzenesulfonate
Alternate Name(s) 4-Methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO7S
InChI InChI=1S/C16H10ClNO7S/c1-9-6-16(19)24-15-7-10(2-4-12(9)15)25-26(22,23)11-3-5-13(17)14(8-11)18(20)21/h2-8H,1H3
InChIKey ZNXYQKZDMPITIA-UHFFFAOYSA-N
Molecular Weight 395.769 g/mol
SMILES c1(cc(c(cc1)Cl)[N+](=O)[O-])S(=O)(=O)Oc1ccc2C(=CC(Oc2c1)=O)C
SPLASH splash10-002b-2915000000-077fad6edb785d02cb59
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816427