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methyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate

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methyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate
SpectraBase Compound ID JvpgADfhkx5
InChI InChI=1S/C22H22F3N3O3S/c1-31-20(30)21(22(23,24)25,27-18(29)12-14-8-4-2-5-9-14)28-19-16(13-26)15-10-6-3-7-11-17(15)32-19/h2,4-5,8-9,28H,3,6-7,10-12H2,1H3,(H,27,29)
InChIKey MPCNKEWYGAOUIV-UHFFFAOYSA-N
Mol Weight 465.49 g/mol
Molecular Formula C22H22F3N3O3S
Exact Mass 465.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CxgqdME2wf0
Name methyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate
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/C22H22F3N3O3S/c1-31-20(30)21(22(23,24)25,27-18(29)12-14-8-4-2-5-9-14)28-19-16(13-26)15-10-6-3-7-11-17(15)32-19/h2,4-5,8-9,28H,3,6-7,10-12H2,1H3,(H,27,29)
InChIKey MPCNKEWYGAOUIV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20325
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: D16533; Labnumber: SOK-1456; SBI_ID: SBI-020329
Temperature 318 °C