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ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6jSCTyXWaEh
InChI InChI=1S/C18H22BrN3O3S/c1-3-22-10-12(19)15(21-22)16(23)20-17-14(18(24)25-4-2)11-8-6-5-7-9-13(11)26-17/h10H,3-9H2,1-2H3,(H,20,23)
InChIKey QYKNYORXMYNCKF-UHFFFAOYSA-N
Mol Weight 440.36 g/mol
Molecular Formula C18H22BrN3O3S
Exact Mass 439.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AKb5eI3Ru4N
Name ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C18H22BrN3O3S/c1-3-22-10-12(19)15(21-22)16(23)20-17-14(18(24)25-4-2)11-8-6-5-7-9-13(11)26-17/h10H,3-9H2,1-2H3,(H,20,23)
InChIKey QYKNYORXMYNCKF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2465
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: 9313298; UBI_ID: UBI-002466
Temperature 313 °C