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piperazine, 1-(2-chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID IPAPbfGNBfX
InChI InChI=1S/C18H13ClF5N3O3/c19-12-9-14(21)13(20)8-11(12)17(28)26-5-3-25(4-6-26)15-2-1-10(18(22,23)24)7-16(15)27(29)30/h1-2,7-9H,3-6H2
InChIKey XLADFOPMLFJCTJ-UHFFFAOYSA-N
Mol Weight 449.77 g/mol
Molecular Formula C18H13ClF5N3O3
Exact Mass 449.05656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6bob2D2fSx
Name piperazine, 1-(2-chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.056559803 u
Formula C18H13ClF5N3O3
InChI InChI=1S/C18H13ClF5N3O3/c19-12-9-14(21)13(20)8-11(12)17(28)26-5-3-25(4-6-26)15-2-1-10(18(22,23)24)7-16(15)27(29)30/h1-2,7-9H,3-6H2
InChIKey XLADFOPMLFJCTJ-UHFFFAOYSA-N
Molecular Weight 449.765 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4890
Solvent DMSO-d6
Source Vendor ID: NMR/10210089; Lab Info: LP; Lab Number: 25-906