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ethyl 5-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate

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ethyl 5-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID 5poaPnO5joU
InChI InChI=1S/C20H25N3O5S/c1-5-27-19(25)13-10-14(23(4)22-13)17(24)21-18-16(20(26)28-11(2)3)12-8-6-7-9-15(12)29-18/h10-11H,5-9H2,1-4H3,(H,21,24)
InChIKey FVQXFKRNRGYQHH-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 8ovzsQsGbDC
Name ethyl 5-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-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/C20H25N3O5S/c1-5-27-19(25)13-10-14(23(4)22-13)17(24)21-18-16(20(26)28-11(2)3)12-8-6-7-9-15(12)29-18/h10-11H,5-9H2,1-4H3,(H,21,24)
InChIKey FVQXFKRNRGYQHH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13189
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/1010232; UBI_ID: UBI-013192
Temperature 308 °C