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4-thiazolidinecarboxylic acid, 2-[3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-
SpectraBase Compound ID B6V3hZspsde
InChI InChI=1S/C17H20BrN3O3S/c1-9-15(18)10(2)21(20-9)7-12-6-11(4-5-14(12)24-3)16-19-13(8-25-16)17(22)23/h4-6,13,16,19H,7-8H2,1-3H3,(H,22,23)
InChIKey KMIJZKKRDNQFTK-UHFFFAOYSA-N
Mol Weight 426.33 g/mol
Molecular Formula C17H20BrN3O3S
Exact Mass 425.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 84Uy2ChP6Hb
Name 4-thiazolidinecarboxylic acid, 2-[3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.040875687 u
Formula C17H20BrN3O3S
InChI InChI=1S/C17H20BrN3O3S/c1-9-15(18)10(2)21(20-9)7-12-6-11(4-5-14(12)24-3)16-19-13(8-25-16)17(22)23/h4-6,13,16,19H,7-8H2,1-3H3,(H,22,23)
InChIKey KMIJZKKRDNQFTK-UHFFFAOYSA-N
Molecular Weight 426.329 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14555
Solvent DMSO-d6
Source Vendor ID: NMR/10310658; Lab Info: PNA; Lab Number: PNA-NA00174