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ethyl 2-{[(4-bromo-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6OpMAbbxZGd
InChI InChI=1S/C14H14BrN3O3S/c1-2-21-14(20)10-7-4-3-5-9(7)22-13(10)17-12(19)11-8(15)6-16-18-11/h6H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKey PBJBUCNILCUTDL-UHFFFAOYSA-N
Mol Weight 384.25 g/mol
Molecular Formula C14H14BrN3O3S
Exact Mass 382.993925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2nVlCeZK4aX
Name ethyl 2-{[(4-bromo-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[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/C14H14BrN3O3S/c1-2-21-14(20)10-7-4-3-5-9(7)22-13(10)17-12(19)11-8(15)6-16-18-11/h6H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKey PBJBUCNILCUTDL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17842
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/9073574; UBI_ID: UBI-017845
Temperature 308 °C