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3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl 2,5-dichlorobenzenesulfonate
SpectraBase Compound ID PpwYdMynaF
InChI InChI=1S/C17H9Cl2NO5S/c1-9-12-4-3-11(7-15(12)24-17(21)13(9)8-20)25-26(22,23)16-6-10(18)2-5-14(16)19/h2-7H,1H3
InChIKey JHXIOXUXQKRXQX-UHFFFAOYSA-N
Mol Weight 410.23 g/mol
Molecular Formula C17H9Cl2NO5S
Exact Mass 408.957849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OLVA75yuu
Name 3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl 2,5-dichlorobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9Cl2NO5S
InChI InChI=1S/C17H9Cl2NO5S/c1-9-12-4-3-11(7-15(12)24-17(21)13(9)8-20)25-26(22,23)16-6-10(18)2-5-14(16)19/h2-7H,1H3
InChIKey JHXIOXUXQKRXQX-UHFFFAOYSA-N
Molecular Weight 410.227 g/mol
SMILES c1(c(ccc(c1)Cl)Cl)S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)C#N)C
SPLASH splash10-0bta-2980300000-9b5a80dc6a67130a8341
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816424