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ethyl 2-[(3-phenyl-2-propynoyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
SpectraBase Compound ID 9TfFcEktXYY
InChI InChI=1S/C23H25NO3S/c1-2-27-23(26)21-18-13-9-4-3-5-10-14-19(18)28-22(21)24-20(25)16-15-17-11-7-6-8-12-17/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,24,25)
InChIKey DFKHTQVHKMFPMD-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C23H25NO3S
Exact Mass 395.155515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KM711DX4i9
Name ethyl 2-[(3-phenyl-2-propynoyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[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/C23H25NO3S/c1-2-27-23(26)21-18-13-9-4-3-5-10-14-19(18)28-22(21)24-20(25)16-15-17-11-7-6-8-12-17/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,24,25)
InChIKey DFKHTQVHKMFPMD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7225
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: UZI/1269003; Labnumber: COL4504; UZI_ID: UZI-007227
Temperature 318 °C