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4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzenesulfonate
SpectraBase Compound ID 2Mfq8V9btW3
InChI InChI=1S/C16H9ClN2O9S/c1-8-6-14(20)27-16-10(8)3-5-13(15(16)19(23)24)28-29(25,26)9-2-4-11(17)12(7-9)18(21)22/h2-7H,1H3
InChIKey NSOYMAVALQUTEV-UHFFFAOYSA-N
Mol Weight 440.77 g/mol
Molecular Formula C16H9ClN2O9S
Exact Mass 439.971729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rt5kL3H4Ax
Name 4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClN2O9S
InChI InChI=1S/C16H9ClN2O9S/c1-8-6-14(20)27-16-10(8)3-5-13(15(16)19(23)24)28-29(25,26)9-2-4-11(17)12(7-9)18(21)22/h2-7H,1H3
InChIKey NSOYMAVALQUTEV-UHFFFAOYSA-N
Molecular Weight 440.766 g/mol
SMILES c1(cc(c(cc1)Cl)[N+](=O)[O-])S(=O)(=O)Oc1ccc2C(=CC(Oc2c1[N+](=O)[O-])=O)C
SPLASH splash10-0kml-6790200000-cb786a21b372d3a15028
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816436