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methyl 2-[(hexahydro-1H-azepin-1-ylcarbothioyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID JlOq8gh48Rw
InChI InChI=1S/C20H24N2O2S2/c1-14-16(15-10-6-5-7-11-15)17(19(23)24-2)18(26-14)21-20(25)22-12-8-3-4-9-13-22/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,25)
InChIKey QGILIRFKLSBBHP-UHFFFAOYSA-N
Mol Weight 388.54 g/mol
Molecular Formula C20H24N2O2S2
Exact Mass 388.12792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3o1Ekvpg102
Name methyl 2-[(hexahydro-1H-azepin-1-ylcarbothioyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
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/C20H24N2O2S2/c1-14-16(15-10-6-5-7-11-15)17(19(23)24-2)18(26-14)21-20(25)22-12-8-3-4-9-13-22/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,25)
InChIKey QGILIRFKLSBBHP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7591
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/1268138; Labnumber: COL5498; UZI_ID: UZI-007593
Temperature 318 °C