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methyl 2-({2,2,2-trifluoro-1-(methoxycarbonyl)-1-[(phenylacetyl)amino]ethyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-({2,2,2-trifluoro-1-(methoxycarbonyl)-1-[(phenylacetyl)amino]ethyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8xE1wkHfj7J
InChI InChI=1S/C23H25F3N2O5S/c1-32-20(30)18-15-11-7-4-8-12-16(15)34-19(18)28-22(21(31)33-2,23(24,25)26)27-17(29)13-14-9-5-3-6-10-14/h3,5-6,9-10,28H,4,7-8,11-13H2,1-2H3,(H,27,29)
InChIKey NBUFFNIRFBQALV-UHFFFAOYSA-N
Mol Weight 498.52 g/mol
Molecular Formula C23H25F3N2O5S
Exact Mass 498.143628 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F52wZaNYl3T
Name methyl 2-({2,2,2-trifluoro-1-(methoxycarbonyl)-1-[(phenylacetyl)amino]ethyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H25F3N2O5S/c1-32-20(30)18-15-11-7-4-8-12-16(15)34-19(18)28-22(21(31)33-2,23(24,25)26)27-17(29)13-14-9-5-3-6-10-14/h3,5-6,9-10,28H,4,7-8,11-13H2,1-2H3,(H,27,29)
InChIKey NBUFFNIRFBQALV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20326
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D16534; Labnumber: SOK-1457; SBI_ID: SBI-020330
Temperature 318 °C