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1H-pyrazole-1-butanoic acid, 5-(4-bromophenyl)-4,5-dihydro-3-(4-nitrophenyl)-gamma-oxo-

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1H-pyrazole-1-butanoic acid, 5-(4-bromophenyl)-4,5-dihydro-3-(4-nitrophenyl)-gamma-oxo-
SpectraBase Compound ID 2pI7Ht7eWO0
InChI InChI=1S/C19H16BrN3O5/c20-14-5-1-13(2-6-14)17-11-16(12-3-7-15(8-4-12)23(27)28)21-22(17)18(24)9-10-19(25)26/h1-8,17H,9-11H2,(H,25,26)
InChIKey MQTVOMDRBQGWJG-UHFFFAOYSA-N
Mol Weight 446.26 g/mol
Molecular Formula C19H16BrN3O5
Exact Mass 445.027334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D7RMlxQtZdK
Name 1H-pyrazole-1-butanoic acid, 5-(4-bromophenyl)-4,5-dihydro-3-(4-nitrophenyl)-gamma-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.027333622 u
Formula C19H16BrN3O5
InChI InChI=1S/C19H16BrN3O5/c20-14-5-1-13(2-6-14)17-11-16(12-3-7-15(8-4-12)23(27)28)21-22(17)18(24)9-10-19(25)26/h1-8,17H,9-11H2,(H,25,26)
InChIKey MQTVOMDRBQGWJG-UHFFFAOYSA-N
Molecular Weight 446.257 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13608
Solvent DMSO-d6
Source Vendor ID: ZI/10024829; Lab Info: PLU; Lab Number: FCI-435-0130