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alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl ester

View entire compound with spectra: 1 NMR

alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl ester
SpectraBase Compound ID FbhO9ssoek1
InChI InChI=1S/C20H26F3N3O3S/c1-4-29-18(28)19(20(21,22)23,25-16(27)10-12(2)3)26-17-14(11-24)13-8-6-5-7-9-15(13)30-17/h12,26H,4-10H2,1-3H3,(H,25,27)
InChIKey XWWUVRJPKBGJEJ-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C20H26F3N3O3S
Exact Mass 445.164697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LSOBiPwp1kl
Name alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl 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 445.164697369 u
Formula C20H26F3N3O3S
InChI InChI=1S/C20H26F3N3O3S/c1-4-29-18(28)19(20(21,22)23,25-16(27)10-12(2)3)26-17-14(11-24)13-8-6-5-7-9-15(13)30-17/h12,26H,4-10H2,1-3H3,(H,25,27)
InChIKey XWWUVRJPKBGJEJ-UHFFFAOYSA-N
Molecular Weight 445.501 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5485
Solvent DMSO-d6
Source Vendor ID: NMR/9290737; Lab Info: AU; Lab Number: AU-0000478