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dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate
SpectraBase Compound ID CmioPMqbWxb
InChI InChI=1S/C16H16BrN3O5/c1-4-20-13(11(17)8-18-20)14(21)19-12-7-9(15(22)24-2)5-6-10(12)16(23)25-3/h5-8H,4H2,1-3H3,(H,19,21)
InChIKey QQZKGVUNEZYOTE-UHFFFAOYSA-N
Mol Weight 410.22 g/mol
Molecular Formula C16H16BrN3O5
Exact Mass 409.027334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KYPDQ3DXPG
Name dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate
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/C16H16BrN3O5/c1-4-20-13(11(17)8-18-20)14(21)19-12-7-9(15(22)24-2)5-6-10(12)16(23)25-3/h5-8H,4H2,1-3H3,(H,19,21)
InChIKey QQZKGVUNEZYOTE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2399
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: 9215766; UBI_ID: UBI-002400
Temperature 318 °C