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3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate
SpectraBase Compound ID 3ofig5L3wvd
InChI InChI=1S/C17H13ClO6S/c1-10-14-8-5-12(9-15(14)23-17(19)16(10)18)24-25(20,21)13-6-3-11(22-2)4-7-13/h3-9H,1-2H3
InChIKey PQJDFMZZGYKNAE-UHFFFAOYSA-N
Mol Weight 380.8 g/mol
Molecular Formula C17H13ClO6S
Exact Mass 380.012137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2ZaJFvlkTh
Name 3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.012137007 u
Formula C17H13ClO6S
InChI InChI=1S/C17H13ClO6S/c1-10-14-8-5-12(9-15(14)23-17(19)16(10)18)24-25(20,21)13-6-3-11(22-2)4-7-13/h3-9H,1-2H3
InChIKey PQJDFMZZGYKNAE-UHFFFAOYSA-N
Molecular Weight 380.798 g/mol
SMILES C=1(C=CC(=CC1)OC)S(=O)(=O)OC=1C=CC=2C(=C(C(OC2C1)=O)Cl)C