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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(3-methoxyphenyl)thiourea
SpectraBase Compound ID 1w82n2T5XED
InChI InChI=1S/C19H17BrN4O2S/c1-26-17-4-2-3-16(9-17)22-19(27)23-18(25)14-7-5-13(6-8-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,27)
InChIKey WZPKCIJKEPJMEF-UHFFFAOYSA-N
Mol Weight 445.34 g/mol
Molecular Formula C19H17BrN4O2S
Exact Mass 444.02556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fsGCo5yoeS
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(3-methoxyphenyl)thiourea
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/C19H17BrN4O2S/c1-26-17-4-2-3-16(9-17)22-19(27)23-18(25)14-7-5-13(6-8-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,27)
InChIKey WZPKCIJKEPJMEF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7266
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: 9686012; UBI_ID: UBI-007269
Temperature 308 °C