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isopropyl 2-{[(phenylsulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID jzSpRFDpa3
InChI InChI=1S/C21H25NO3S2/c1-14(2)25-21(24)19-16-11-7-4-8-12-17(16)27-20(19)22-18(23)13-26-15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,22,23)
InChIKey LJGPCOPIZGESCI-UHFFFAOYSA-N
Mol Weight 403.56 g/mol
Molecular Formula C21H25NO3S2
Exact Mass 403.127586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmtkzTS3Hp
Name isopropyl 2-{[(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/C21H25NO3S2/c1-14(2)25-21(24)19-16-11-7-4-8-12-17(16)27-20(19)22-18(23)13-26-15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,22,23)
InChIKey LJGPCOPIZGESCI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19798
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/9144504; Labnumber: U_AM_ACK/015987; UZI_ID: UZI-019806
Temperature 318 °C