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isopropylphosphoramidothioic acid, S-[(benzo[b]thien-3-yl)methyl], O-ethyl ester

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

isopropylphosphoramidothioic acid, S-[(benzo[b]thien-3-yl)methyl], O-ethyl ester
SpectraBase Compound ID 2qQFaGij551
InChI InChI=1S/C14H20NO2PS2/c1-4-17-18(16,15-11(2)3)20-10-12-9-19-14-8-6-5-7-13(12)14/h5-9,11H,4,10H2,1-3H3,(H,15,16)
InChIKey ISRLTXLGMSCLJD-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C14H20NO2PS2
Exact Mass 329.067308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HH6NawOrozF
Name ISOPROPYLPHOSPHORAMIDOTHIOIC ACID, S-[(BENZO[b]THIEN-3-YL)METHYL] O-ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20NO2PS2
InChI InChI=1S/C14H20NO2PS2/c1-4-17-18(16,15-11(2)3)20-10-12-9-19-14-8-6-5-7-13(12)14/h5-9,11H,4,10H2,1-3H3,(H,15,16)
InChIKey ISRLTXLGMSCLJD-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 42-43C
Molecular Weight 329.42
Solvent CDCl3; Reference=TMS; Temperature 297K