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methyl 2-{[phenyl(phenylsulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6vAts49APcF
InChI InChI=1S/C25H25NO3S2/c1-29-25(28)21-19-15-9-4-10-16-20(19)31-24(21)26-23(27)22(17-11-5-2-6-12-17)30-18-13-7-3-8-14-18/h2-3,5-8,11-14,22H,4,9-10,15-16H2,1H3,(H,26,27)
InChIKey LICLKZQBQLIYJR-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C25H25NO3S2
Exact Mass 451.127586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EGml0vOrYEx
Name methyl 2-{[phenyl(phenylsulfanyl)acetyl]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/C25H25NO3S2/c1-29-25(28)21-19-15-9-4-10-16-20(19)31-24(21)26-23(27)22(17-11-5-2-6-12-17)30-18-13-7-3-8-14-18/h2-3,5-8,11-14,22H,4,9-10,15-16H2,1H3,(H,26,27)
InChIKey LICLKZQBQLIYJR-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_12991
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/8049805; Labnumber: NSB0018622; UZI_ID: UZI-012995
Temperature 300 °C