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ethyl 5-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID BrfWi4A0IG
InChI InChI=1S/C19H23N3O5S/c1-4-26-18(24)12-10-13(22(3)21-12)16(23)20-17-15(19(25)27-5-2)11-8-6-7-9-14(11)28-17/h10H,4-9H2,1-3H3,(H,20,23)
InChIKey KMOMDMRPGOECTI-UHFFFAOYSA-N
Mol Weight 405.47 g/mol
Molecular Formula C19H23N3O5S
Exact Mass 405.135842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7DU8Po0mPe9
Name ethyl 5-({[3-(ethoxycarbonyl)-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/C19H23N3O5S/c1-4-26-18(24)12-10-13(22(3)21-12)16(23)20-17-15(19(25)27-5-2)11-8-6-7-9-14(11)28-17/h10H,4-9H2,1-3H3,(H,20,23)
InChIKey KMOMDMRPGOECTI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14219
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/1011246; UBI_ID: UBI-014222
Temperature 308 °C