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

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ethyl 5-({[3-(sec-butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID CP30sZljLel
InChI InChI=1S/C21H27N3O5S/c1-5-12(3)29-21(27)17-13-9-7-8-10-16(13)30-19(17)22-18(25)15-11-14(23-24(15)4)20(26)28-6-2/h11-12H,5-10H2,1-4H3,(H,22,25)
InChIKey DZXQBVOOTRLASZ-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C21H27N3O5S
Exact Mass 433.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2uMl9FS6Nmj
Name ethyl 5-({[3-(sec-butoxycarbonyl)-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/C21H27N3O5S/c1-5-12(3)29-21(27)17-13-9-7-8-10-16(13)30-19(17)22-18(25)15-11-14(23-24(15)4)20(26)28-6-2/h11-12H,5-10H2,1-4H3,(H,22,25)
InChIKey DZXQBVOOTRLASZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13512
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/1010378; UBI_ID: UBI-013515
Temperature 308 °C