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Carbamic acid, N-[1-(3-aminocarbonyl-4H-cyclopenta[b]thien-2-ylamino)-2,2,2-trifluoro-1-trifluoromethylethyl]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Carbamic acid, N-[1-(3-aminocarbonyl-4H-cyclopenta[b]thien-2-ylamino)-2,2,2-trifluoro-1-trifluoromethylethyl]-, ethyl ester
SpectraBase Compound ID Tyb6kH8LOs
InChI InChI=1S/C14H15F6N3O3S/c1-2-26-11(25)23-12(13(15,16)17,14(18,19)20)22-10-8(9(21)24)6-4-3-5-7(6)27-10/h22H,2-5H2,1H3,(H2,21,24)(H,23,25)
InChIKey ZDUSJUFOYSZEBA-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C14H15F6N3O3S
Exact Mass 419.073832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BIffJOFirWU
Name carbamic acid, [1-[[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.073831504 u
Formula C14H15F6N3O3S
InChI InChI=1S/C14H15F6N3O3S/c1-2-26-11(25)23-12(13(15,16)17,14(18,19)20)22-10-8(9(21)24)6-4-3-5-7(6)27-10/h22H,2-5H2,1H3,(H2,21,24)(H,23,25)
InChIKey ZDUSJUFOYSZEBA-UHFFFAOYSA-N
Molecular Weight 419.342 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5129
Solvent DMSO-d6
Source Vendor ID: NMR/9302521; Lab Info: AU; Lab Number: AU-T000602