For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3,3,3-trifluoro-2-[(4-fluorobenzoyl)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-[(4-fluorobenzoyl)amino]-, ethyl ester
SpectraBase Compound ID JFvkRC2hdOf
InChI InChI=1S/C22H21F4N3O3S/c1-2-32-20(31)21(22(24,25)26,28-18(30)13-8-10-14(23)11-9-13)29-19-16(12-27)15-6-4-3-5-7-17(15)33-19/h8-11,29H,2-7H2,1H3,(H,28,30)
InChIKey QDBLIYMRTDKIQT-UHFFFAOYSA-N
Mol Weight 483.48 g/mol
Molecular Formula C22H21F4N3O3S
Exact Mass 483.123975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4fZj44olnyD
Name alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3,3,3-trifluoro-2-[(4-fluorobenzoyl)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 483.123975371 u
Formula C22H21F4N3O3S
InChI InChI=1S/C22H21F4N3O3S/c1-2-32-20(31)21(22(24,25)26,28-18(30)13-8-10-14(23)11-9-13)29-19-16(12-27)15-6-4-3-5-7-17(15)33-19/h8-11,29H,2-7H2,1H3,(H,28,30)
InChIKey QDBLIYMRTDKIQT-UHFFFAOYSA-N
Molecular Weight 483.482 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5052
Solvent DMSO-d6
Source Vendor ID: NMR/9290882; Lab Info: AU; Lab Number: AU-EC00484