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3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl benzene sulfonate
SpectraBase Compound ID 6cwfsI8ynPO
InChI InChI=1S/C17H11NO5S/c1-11-14-8-7-12(9-16(14)22-17(19)15(11)10-18)23-24(20,21)13-5-3-2-4-6-13/h2-9H,1H3
InChIKey XHRMOFUFRKUMNE-UHFFFAOYSA-N
Mol Weight 341.34 g/mol
Molecular Formula C17H11NO5S
Exact Mass 341.035794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Xdc1n2x7U3
Name 3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl benzene sulfonate
Alternate Name(s) 3-cyano-4-methyl-2-oxo-2H-chromen-7-yl benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO5S
InChI InChI=1S/C17H11NO5S/c1-11-14-8-7-12(9-16(14)22-17(19)15(11)10-18)23-24(20,21)13-5-3-2-4-6-13/h2-9H,1H3
InChIKey XHRMOFUFRKUMNE-UHFFFAOYSA-N
Molecular Weight 341.337 g/mol
SMILES c1(ccccc1)S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)C#N)C
SPLASH splash10-002f-9802000000-759a73259c38364426ee
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816414