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N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 7CSiKJxwLyo
InChI InChI=1S/C20H19FN4O3S/c21-13-6-2-3-7-15(13)28-11-25-10-9-14(24-25)19(27)23-20-17(18(22)26)12-5-1-4-8-16(12)29-20/h2-3,6-7,9-10H,1,4-5,8,11H2,(H2,22,26)(H,23,27)
InChIKey OHEMGHZJEJJTHY-UHFFFAOYSA-N
Mol Weight 414.46 g/mol
Molecular Formula C20H19FN4O3S
Exact Mass 414.11619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kow6xhIxfp
Name N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-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/C20H19FN4O3S/c21-13-6-2-3-7-15(13)28-11-25-10-9-14(24-25)19(27)23-20-17(18(22)26)12-5-1-4-8-16(12)29-20/h2-3,6-7,9-10H,1,4-5,8,11H2,(H2,22,26)(H,23,27)
InChIKey OHEMGHZJEJJTHY-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16636
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/1269383; Labnumber: OLG1128; UZI_ID: UZI-016640
Temperature 306 °C