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ethyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9CMXNDIWlRa
InChI InChI=1S/C23H28ClNO4S/c1-3-28-23(27)21-17-8-5-4-6-9-19(17)30-22(21)25-20(26)10-7-13-29-18-12-11-16(24)14-15(18)2/h11-12,14H,3-10,13H2,1-2H3,(H,25,26)
InChIKey JXBGKGPBNJMESQ-UHFFFAOYSA-N
Mol Weight 449.99 g/mol
Molecular Formula C23H28ClNO4S
Exact Mass 449.142757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsyF0zYEc30
Name ethyl 2-{[4-(4-chloro-2-methylphenoxy)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/C23H28ClNO4S/c1-3-28-23(27)21-17-8-5-4-6-9-19(17)30-22(21)25-20(26)10-7-13-29-18-12-11-16(24)14-15(18)2/h11-12,14H,3-10,13H2,1-2H3,(H,25,26)
InChIKey JXBGKGPBNJMESQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14028
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/8195210; Labnumber: NSB0052116; UZI_ID: UZI-014032
Temperature 318 °C