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ethyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID E0Fpmpl8ZiJ
InChI InChI=1S/C16H18IN3O3S/c1-3-23-16(22)12-9-6-4-5-7-11(9)24-15(12)19-14(21)13-10(17)8-18-20(13)2/h8H,3-7H2,1-2H3,(H,19,21)
InChIKey DRRCFZAGRRKYKS-UHFFFAOYSA-N
Mol Weight 459.3 g/mol
Molecular Formula C16H18IN3O3S
Exact Mass 459.011358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dju6O5Y55jZ
Name ethyl 2-{[(4-iodo-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/C16H18IN3O3S/c1-3-23-16(22)12-9-6-4-5-7-11(9)24-15(12)19-14(21)13-10(17)8-18-20(13)2/h8H,3-7H2,1-2H3,(H,19,21)
InChIKey DRRCFZAGRRKYKS-UHFFFAOYSA-N
NMR Offset 15.9579
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5385
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/6206376; Labnumber: BORIS-0000032; UZI_ID: UZI-005387
Temperature 306 °C