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3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 2- nitrobenzenesulfonate
SpectraBase Compound ID HWnJitINgcQ
InChI InChI=1S/C16H10ClNO7S/c1-9-11-7-6-10(8-13(11)24-16(19)15(9)17)25-26(22,23)14-5-3-2-4-12(14)18(20)21/h2-8H,1H3
InChIKey VWZIXTIQNFYMJK-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 3jqIUmf1ZaS
Name 3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 2- nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO7S
InChI InChI=1S/C16H10ClNO7S/c1-9-11-7-6-10(8-13(11)24-16(19)15(9)17)25-26(22,23)14-5-3-2-4-12(14)18(20)21/h2-8H,1H3
InChIKey VWZIXTIQNFYMJK-UHFFFAOYSA-N
Molecular Weight 395.769 g/mol
SMILES c1(c(cccc1)[N+](=O)[O-])S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)Cl)C
SPLASH splash10-000i-3920000000-923bedf044d48dffb6c6
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Synonyms 3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-nitrobenzenesulfonate
Wiley ID 1816406