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isopropylphosphoramidothioic acid, S-[(5-chloro-3-methylbenzo[b]thien-2-yl)methyl], O-ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

isopropylphosphoramidothioic acid, S-[(5-chloro-3-methylbenzo[b]thien-2-yl)methyl], O-ethyl ester
SpectraBase Compound ID tVR1OOtnkE
InChI InChI=1S/C15H21ClNO2PS2/c1-5-19-20(18,17-10(2)3)21-9-15-11(4)13-8-12(16)6-7-14(13)22-15/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKey GJFKZIYHZBKZEB-UHFFFAOYSA-N
Mol Weight 377.88 g/mol
Molecular Formula C15H21ClNO2PS2
Exact Mass 377.043986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HJErnydRXXc
Name ISOPROPYLPHOSPHORAMIDOTHIOIC ACID, S-[(5-CHLORO-3-METHYLBENZO[b]THIEN-2-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 C15H21ClNO2PS2
InChI InChI=1S/C15H21ClNO2PS2/c1-5-19-20(18,17-10(2)3)21-9-15-11(4)13-8-12(16)6-7-14(13)22-15/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKey GJFKZIYHZBKZEB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 78-80C
Molecular Weight 377.89
Solvent CDCl3; Reference=TMS; Temperature 297K