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alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, methyl ester

View entire compound with spectra: 1 NMR

alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, methyl ester
SpectraBase Compound ID Ht9EqQZ1M1N
InChI InChI=1S/C15H18F3N3O5S/c1-25-12(23)14(15(16,17)18,21-13(24)26-2)20-11-9(10(19)22)7-5-3-4-6-8(7)27-11/h20H,3-6H2,1-2H3,(H2,19,22)(H,21,24)
InChIKey IAEBAPUAKHZDCS-UHFFFAOYSA-N
Mol Weight 409.38 g/mol
Molecular Formula C15H18F3N3O5S
Exact Mass 409.091926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bgjf0YsGLtc
Name alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, 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 409.091926350 u
Formula C15H18F3N3O5S
InChI InChI=1S/C15H18F3N3O5S/c1-25-12(23)14(15(16,17)18,21-13(24)26-2)20-11-9(10(19)22)7-5-3-4-6-8(7)27-11/h20H,3-6H2,1-2H3,(H2,19,22)(H,21,24)
InChIKey IAEBAPUAKHZDCS-UHFFFAOYSA-N
Molecular Weight 409.380 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5605
Solvent DMSO-d6
Source Vendor ID: NMR/9290896; Lab Info: AU; Lab Number: AU-EC00516