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benzo[b]thiophene-3-carboxylic acid, 2-[[1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID CbxtXtarXRV
InChI InChI=1S/C16H19F3N2O5S/c1-8(22)20-15(14(24)26-3,16(17,18)19)21-12-11(13(23)25-2)9-6-4-5-7-10(9)27-12/h21H,4-7H2,1-3H3,(H,20,22)
InChIKey YSIVAXGNHVZACS-UHFFFAOYSA-N
Mol Weight 408.39 g/mol
Molecular Formula C16H19F3N2O5S
Exact Mass 408.096677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eh8cjhJdcGn
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]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 408.096677378 u
Formula C16H19F3N2O5S
InChI InChI=1S/C16H19F3N2O5S/c1-8(22)20-15(14(24)26-3,16(17,18)19)21-12-11(13(23)25-2)9-6-4-5-7-10(9)27-12/h21H,4-7H2,1-3H3,(H,20,22)
InChIKey YSIVAXGNHVZACS-UHFFFAOYSA-N
Molecular Weight 408.392 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5637
Solvent DMSO-d6
Source Vendor ID: NMR/9302530; Lab Info: AU; Lab Number: AU-T000612