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isopropyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1ig5O7B8B
InChI InChI=1S/C17H21N3O3S/c1-10(2)23-17(22)14-11-6-4-5-7-13(11)24-16(14)19-15(21)12-8-9-18-20(12)3/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKey HQUGZWMMUOXZDC-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C17H21N3O3S
Exact Mass 347.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DaEU1ZtHsB3
Name isopropyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C17H21N3O3S/c1-10(2)23-17(22)14-11-6-4-5-7-13(11)24-16(14)19-15(21)12-8-9-18-20(12)3/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKey HQUGZWMMUOXZDC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2386
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: 9312481; UBI_ID: UBI-002387
Temperature 308 °C