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ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BXbbJK3mnlZ
InChI InChI=1S/C22H25Cl2NO4S/c1-2-28-22(27)20-15-7-4-3-5-8-18(15)30-21(20)25-19(26)9-6-12-29-17-11-10-14(23)13-16(17)24/h10-11,13H,2-9,12H2,1H3,(H,25,26)
InChIKey WNKYFIFLRISYQP-UHFFFAOYSA-N
Mol Weight 470.41 g/mol
Molecular Formula C22H25Cl2NO4S
Exact Mass 469.088135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2HdLKQvEPY
Name ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]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/C22H25Cl2NO4S/c1-2-28-22(27)20-15-7-4-3-5-8-18(15)30-21(20)25-19(26)9-6-12-29-17-11-10-14(23)13-16(17)24/h10-11,13H,2-9,12H2,1H3,(H,25,26)
InChIKey WNKYFIFLRISYQP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5775
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/8172677; UBI_ID: UBI-005777
Temperature 318 °C