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3-thiophenecarboxylic acid, 2-[[2-(2-bromophenoxy)-1-oxopropyl]amino]-4,5-dimethyl-, ethyl ester
SpectraBase Compound ID LX2VBepqyK4
InChI InChI=1S/C18H20BrNO4S/c1-5-23-18(22)15-10(2)12(4)25-17(15)20-16(21)11(3)24-14-9-7-6-8-13(14)19/h6-9,11H,5H2,1-4H3,(H,20,21)
InChIKey VGBAESYZGWCPOJ-UHFFFAOYSA-N
Mol Weight 426.33 g/mol
Molecular Formula C18H20BrNO4S
Exact Mass 425.029642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K1OragaiOlV
Name 3-thiophenecarboxylic acid, 2-[[2-(2-bromophenoxy)-1-oxopropyl]amino]-4,5-dimethyl-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.029642298 u
Formula C18H20BrNO4S
InChI InChI=1S/C18H20BrNO4S/c1-5-23-18(22)15-10(2)12(4)25-17(15)20-16(21)11(3)24-14-9-7-6-8-13(14)19/h6-9,11H,5H2,1-4H3,(H,20,21)
InChIKey VGBAESYZGWCPOJ-UHFFFAOYSA-N
Molecular Weight 426.325 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12527
Solvent DMSO-d6
Source Vendor ID: ZI/10021560; Lab Info: PNA; Lab Number: PNA-1990980