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2-[[1-(carbethoxyamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester

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2-[[1-(carbethoxyamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID CH1L2W0wB3Q
InChI InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27)
InChIKey IDKJMWZFPMNLBO-UHFFFAOYSA-N
Mol Weight 462.41 g/mol
Molecular Formula C17H20F6N2O4S
Exact Mass 462.104797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 332rEmWcS2L
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.104797280 u
Formula C17H20F6N2O4S
InChI InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27)
InChIKey IDKJMWZFPMNLBO-UHFFFAOYSA-N
Molecular Weight 462.407 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4354
Solvent DMSO-d6
Source Vendor ID: NMR/9290743; Lab Info: AU; Lab Number: AU-0001044
Temperature 29.85 °C