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3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl octane-1-sulfonate
SpectraBase Compound ID SdlRvnKVGE
InChI InChI=1S/C18H23ClO5S/c1-3-4-5-6-7-8-11-25(21,22)24-14-9-10-15-13(2)17(19)18(20)23-16(15)12-14/h9-10,12H,3-8,11H2,1-2H3
InChIKey CZCASYBVGNZRPU-UHFFFAOYSA-N
Mol Weight 386.89 g/mol
Molecular Formula C18H23ClO5S
Exact Mass 386.095473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhmkkkBML1v
Name 3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl octane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO5S
InChI InChI=1S/C18H23ClO5S/c1-3-4-5-6-7-8-11-25(21,22)24-14-9-10-15-13(2)17(19)18(20)23-16(15)12-14/h9-10,12H,3-8,11H2,1-2H3
InChIKey CZCASYBVGNZRPU-UHFFFAOYSA-N
Molecular Weight 386.890 g/mol
SMILES C(CCCCCCC)S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)Cl)C
SPLASH splash10-03di-9472000000-9407477ba24597c61b60
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816410