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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID JVLUunKQZvq
InChI InChI=1S/C15H17N5OS2/c1-9-3-4-10-11(6-16)14(23-12(10)5-9)18-13(21)7-22-15-19-17-8-20(15)2/h8-9H,3-5,7H2,1-2H3,(H,18,21)
InChIKey FKROQUIHOAMSMQ-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C15H17N5OS2
Exact Mass 347.087453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XeS7e8Qfb
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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/C15H17N5OS2/c1-9-3-4-10-11(6-16)14(23-12(10)5-9)18-13(21)7-22-15-19-17-8-20(15)2/h8-9H,3-5,7H2,1-2H3,(H,18,21)
InChIKey FKROQUIHOAMSMQ-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_611
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: ZI/8096104; Labnumber: PNA-pk00007; IOH_ID: IOH-000612
Temperature 297 °C