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2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID JCjJhQ42ShK
InChI InChI=1S/C13H14N6O4S/c14-11(21)10-7-3-1-2-4-8(7)24-12(10)16-9(20)5-18-6-15-13(17-18)19(22)23/h6H,1-5H2,(H2,14,21)(H,16,20)
InChIKey LNKJHTBUOTUPNE-UHFFFAOYSA-N
Mol Weight 350.35 g/mol
Molecular Formula C13H14N6O4S
Exact Mass 350.079724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sxz7xnt2Se
Name 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C13H14N6O4S/c14-11(21)10-7-3-1-2-4-8(7)24-12(10)16-9(20)5-18-6-15-13(17-18)19(22)23/h6H,1-5H2,(H2,14,21)(H,16,20)
InChIKey LNKJHTBUOTUPNE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16234
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/8083729; UBI_ID: UBI-016237
Temperature 308 °C