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benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(chloroacetyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(chloroacetyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID Lu30PB1gJrT
InChI InChI=1S/C17H20ClF3N2O5S/c1-3-28-15(26)16(17(19,20)21,22-11(24)8-18)23-13-12(14(25)27-2)9-6-4-5-7-10(9)29-13/h23H,3-8H2,1-2H3,(H,22,24)
InChIKey ACACGTVEHDYYRD-UHFFFAOYSA-N
Mol Weight 456.86 g/mol
Molecular Formula C17H20ClF3N2O5S
Exact Mass 456.073355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Sune2Wd2iC
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(chloroacetyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-, methyl 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 456.073355110 u
Formula C17H20ClF3N2O5S
InChI InChI=1S/C17H20ClF3N2O5S/c1-3-28-15(26)16(17(19,20)21,22-11(24)8-18)23-13-12(14(25)27-2)9-6-4-5-7-10(9)29-13/h23H,3-8H2,1-2H3,(H,22,24)
InChIKey ACACGTVEHDYYRD-UHFFFAOYSA-N
Molecular Weight 456.864 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12030
Solvent DMSO-d6
Source Vendor ID: NMR/10271808; Lab Info: AU; Lab Number: AU-EC01080