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ethyl 2-{[phenyl(phenylsulfanyl)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID EuHEutIeFCL
InChI InChI=1S/C27H29NO3S2/c1-2-31-27(30)23-21-17-11-3-4-12-18-22(21)33-26(23)28-25(29)24(19-13-7-5-8-14-19)32-20-15-9-6-10-16-20/h5-10,13-16,24H,2-4,11-12,17-18H2,1H3,(H,28,29)
InChIKey MOPIFWKWEDUCJB-UHFFFAOYSA-N
Mol Weight 479.65 g/mol
Molecular Formula C27H29NO3S2
Exact Mass 479.158886 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cp4TcO2lXVe
Name ethyl 2-{[phenyl(phenylsulfanyl)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[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/C27H29NO3S2/c1-2-31-27(30)23-21-17-11-3-4-12-18-22(21)33-26(23)28-25(29)24(19-13-7-5-8-14-19)32-20-15-9-6-10-16-20/h5-10,13-16,24H,2-4,11-12,17-18H2,1H3,(H,28,29)
InChIKey MOPIFWKWEDUCJB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19805
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/9136104; Labnumber: U_AM_ACK/016547; UZI_ID: UZI-019813
Temperature 318 °C