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5-chloro-3-methylbenzo[b]thien-2-yl hydroxymethyl ketone, o-chlorobenzoate
SpectraBase Compound ID 5wHblLnY7O8
InChI InChI=1S/C18H12Cl2O3S/c1-10-13-8-11(19)6-7-16(13)24-17(10)15(21)9-23-18(22)12-4-2-3-5-14(12)20/h2-8H,9H2,1H3
InChIKey VDGUAWZGMVSYFL-UHFFFAOYSA-N
Mol Weight 379.26 g/mol
Molecular Formula C18H12Cl2O3S
Exact Mass 377.988421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1DHQ1qHT2HD
Name 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL HYDROXYMETHYL KETONE, o-CHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2O3S
InChI InChI=1S/C18H12Cl2O3S/c1-10-13-8-11(19)6-7-16(13)24-17(10)15(21)9-23-18(22)12-4-2-3-5-14(12)20/h2-8H,9H2,1H3
InChIKey VDGUAWZGMVSYFL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 158-160C
Molecular Weight 379.26
Solvent CDCl3; Reference=TMS; Temperature 297K