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3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl methanesulfonate
SpectraBase Compound ID 1Y3yjXRskkn
InChI InChI=1S/C12H9NO5S/c1-7-9-4-3-8(18-19(2,15)16)5-11(9)17-12(14)10(7)6-13/h3-5H,1-2H3
InChIKey OWTCBVNTDVEYML-UHFFFAOYSA-N
Mol Weight 279.27 g/mol
Molecular Formula C12H9NO5S
Exact Mass 279.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K39NHk0RsOJ
Name 3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO5S
InChI InChI=1S/C12H9NO5S/c1-7-9-4-3-8(18-19(2,15)16)5-11(9)17-12(14)10(7)6-13/h3-5H,1-2H3
InChIKey OWTCBVNTDVEYML-UHFFFAOYSA-N
Molecular Weight 279.266 g/mol
SMILES CS(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)C#N)C
SPLASH splash10-0umi-5790000000-5715bda578166a16dbc9
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816423