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

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alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID 89ZiHKwn6mZ
InChI InChI=1S/C20H19ClF3N3O4S/c1-31-18(30)19(20(22,23)24,26-16(29)10-6-8-11(21)9-7-10)27-17-14(15(25)28)12-4-2-3-5-13(12)32-17/h6-9,27H,2-5H2,1H3,(H2,25,28)(H,26,29)
InChIKey SKDKIYCWIKLJPC-UHFFFAOYSA-N
Mol Weight 489.9 g/mol
Molecular Formula C20H19ClF3N3O4S
Exact Mass 489.073689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ETbdewVytMx
Name alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-, 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 489.073689463 u
Formula C20H19ClF3N3O4S
InChI InChI=1S/C20H19ClF3N3O4S/c1-31-18(30)19(20(22,23)24,26-16(29)10-6-8-11(21)9-7-10)27-17-14(15(25)28)12-4-2-3-5-13(12)32-17/h6-9,27H,2-5H2,1H3,(H2,25,28)(H,26,29)
InChIKey SKDKIYCWIKLJPC-UHFFFAOYSA-N
Molecular Weight 489.897 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8297
Solvent DMSO-d6
Source Vendor ID: NMR/9321648; Lab Info: AU; Lab Number: AU-t000763
Temperature 29.85 °C