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ethyl 1-methyl-3-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-5-carboxylate
SpectraBase Compound ID 7Oa5B7UQnJK
InChI InChI=1S/C20H25N3O5S/c1-4-10-28-20(26)16-12-8-6-7-9-15(12)29-18(16)21-17(24)13-11-14(23(3)22-13)19(25)27-5-2/h11H,4-10H2,1-3H3,(H,21,24)
InChIKey RWQCWDPRQOHNPS-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C20H25N3O5S
Exact Mass 419.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3dxIGQRM99E
Name ethyl 1-methyl-3-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-5-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/C20H25N3O5S/c1-4-10-28-20(26)16-12-8-6-7-9-15(12)29-18(16)21-17(24)13-11-14(23(3)22-13)19(25)27-5-2/h11H,4-10H2,1-3H3,(H,21,24)
InChIKey RWQCWDPRQOHNPS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14926
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/1021448; UBI_ID: UBI-014929
Temperature 308 °C