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4-Methyl-2-oxo-2H-chromen-7-yl 2-methyl-5-nitrobenzenesulfonate
SpectraBase Compound ID 7bvkn6Cgtdd
InChI InChI=1S/C17H13NO7S/c1-10-3-4-12(18(20)21)8-16(10)26(22,23)25-13-5-6-14-11(2)7-17(19)24-15(14)9-13/h3-9H,1-2H3
InChIKey OSAKBFBQDAGLFY-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C17H13NO7S
Exact Mass 375.041273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6StwRZ8nJ2M
Name 4-Methyl-2-oxo-2H-chromen-7-yl 2-methyl-5-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO7S
InChI InChI=1S/C17H13NO7S/c1-10-3-4-12(18(20)21)8-16(10)26(22,23)25-13-5-6-14-11(2)7-17(19)24-15(14)9-13/h3-9H,1-2H3
InChIKey OSAKBFBQDAGLFY-UHFFFAOYSA-N
Molecular Weight 375.351 g/mol
SMILES c1(c(ccc(c1)[N+](=O)[O-])C)S(=O)(=O)Oc1ccc2C(=CC(Oc2c1)=O)C
SPLASH splash10-004i-3914000000-34dea95d555f53c239c8
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816431