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isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID AhKvHD3NtT1
InChI InChI=1S/C21H23Cl2NO4S/c1-4-15(28-16-10-12(22)8-9-14(16)23)19(25)24-20-18(21(26)27-11(2)3)13-6-5-7-17(13)29-20/h8-11,15H,4-7H2,1-3H3,(H,24,25)
InChIKey PYIPPYVIMQKOII-UHFFFAOYSA-N
Mol Weight 456.38 g/mol
Molecular Formula C21H23Cl2NO4S
Exact Mass 455.072485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pepbhks32i
Name isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[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/C21H23Cl2NO4S/c1-4-15(28-16-10-12(22)8-9-14(16)23)19(25)24-20-18(21(26)27-11(2)3)13-6-5-7-17(13)29-20/h8-11,15H,4-7H2,1-3H3,(H,24,25)
InChIKey PYIPPYVIMQKOII-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15755
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/1004118; Labnumber: NSB-0100094; UZI_ID: UZI-015759
Temperature 308 °C