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ethyl 3-({3-[(5-bromo-2-thienyl)sulfonyl]propanoyl}amino)benzoate
SpectraBase Compound ID 6i1nxzDUbHl
InChI InChI=1S/C16H16BrNO5S2/c1-2-23-16(20)11-4-3-5-12(10-11)18-14(19)8-9-25(21,22)15-7-6-13(17)24-15/h3-7,10H,2,8-9H2,1H3,(H,18,19)
InChIKey WRDMTUVYHLSMNH-UHFFFAOYSA-N
Mol Weight 446.33 g/mol
Molecular Formula C16H16BrNO5S2
Exact Mass 444.965328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Sqd6nxbOYB
Name ethyl 3-({3-[(5-bromo-2-thienyl)sulfonyl]propanoyl}amino)benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.965327962 u
Formula C16H16BrNO5S2
InChI InChI=1S/C16H16BrNO5S2/c1-2-23-16(20)11-4-3-5-12(10-11)18-14(19)8-9-25(21,22)15-7-6-13(17)24-15/h3-7,10H,2,8-9H2,1H3,(H,18,19)
InChIKey WRDMTUVYHLSMNH-UHFFFAOYSA-N
Molecular Weight 446.330 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_947
Solvent DMSO-d6
Source Vendor ID: NMR/12268990