John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4dyLEfx12Fb SpectraBase Spectrum ID=5Bd7gP5awxm

(accessed ).
3-[5-(HYDROXYMETHYL)-2-FURYL]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER, p-CHLOROBENZOATE (ESTER)
SpectraBase Compound ID 4dyLEfx12Fb
InChI InChI=1S/C18H13ClO5S/c1-22-18(21)16-14(8-9-25-16)15-7-6-13(24-15)10-23-17(20)11-2-4-12(19)5-3-11/h2-9H,10H2,1H3
InChIKey RAWDQUKCJIPGLB-UHFFFAOYSA-N
Mol Weight 376.81 g/mol
Molecular Formula C18H13ClO5S
Exact Mass 376.017223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Bd7gP5awxm
Name 3-[5-(HYDROXYMETHYL)-2-FURYL]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER, p-CHLOROBENZOATE (ESTER)
Source of Sample Bionet Research Ltd., Cornwall, England
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Formula C18H13ClO5S
InChI InChI=1S/C18H13ClO5S/c1-22-18(21)16-14(8-9-25-16)15-7-6-13(24-15)10-23-17(20)11-2-4-12(19)5-3-11/h2-9H,10H2,1H3
InChIKey RAWDQUKCJIPGLB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 85.5-88.5C
Molecular Weight 376.82
Solvent CDCl3; Reference=TMS; Temperature 297K
SpectraBase Batch ID 2f8rGNbOQCA