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hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-chlorobenzoate

View entire compound with spectra: 2 NMR, and 1 FTIR

hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-chlorobenzoate
SpectraBase Compound ID DeFsfYMfTIf
InChI InChI=1S/C18H13ClO3S/c1-11-12-6-3-5-9-16(12)23-17(11)15(20)10-22-18(21)13-7-2-4-8-14(13)19/h2-9H,10H2,1H3
InChIKey IBDRYVLZMJAMPR-UHFFFAOYSA-N
Mol Weight 344.81 g/mol
Molecular Formula C18H13ClO3S
Exact Mass 344.027393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtoosUlZr6R
Name HYDROXYMETHYL 3-METHYLBENZO[b]THIEN-2-YL 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 C18H13ClO3S
InChI InChI=1S/C18H13ClO3S/c1-11-12-6-3-5-9-16(12)23-17(11)15(20)10-22-18(21)13-7-2-4-8-14(13)19/h2-9H,10H2,1H3
InChIKey IBDRYVLZMJAMPR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 112-114C
Molecular Weight 344.82
Solvent CDCl3; Reference=TMS; Temperature 297K