Debug Info

object
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_id
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6sTrepshbid
spectrumID
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6sTrepshbid
cost
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specType
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8388608
xnmrNucleus
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NY3X:28572:1
hasStructureAssignments
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properties
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
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compound
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piperazine, 1-[(4-bromophenyl)sulfonyl]-4-(2-chloro-6-nitrophenyl)-
SpectraBase Compound ID JL4qOr3WBWU
InChI InChI=1S/C16H15BrClN3O4S/c17-12-4-6-13(7-5-12)26(24,25)20-10-8-19(9-11-20)16-14(18)2-1-3-15(16)21(22)23/h1-7H,8-11H2
InChIKey YWQQDIXNSBJPEO-UHFFFAOYSA-N
Mol Weight 460.73 g/mol
Molecular Formula C16H15BrClN3O4S
Exact Mass 458.965518 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sTrepshbid
Name piperazine, 1-[(4-bromophenyl)sulfonyl]-4-(2-chloro-6-nitrophenyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.965517845 u
Formula C16H15BrClN3O4S
InChI InChI=1S/C16H15BrClN3O4S/c17-12-4-6-13(7-5-12)26(24,25)20-10-8-19(9-11-20)16-14(18)2-1-3-15(16)21(22)23/h1-7H,8-11H2
InChIKey YWQQDIXNSBJPEO-UHFFFAOYSA-N
Molecular Weight 460.730 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_86
Solvent DMSO-d6
Source Vendor ID: NMR/12320370; Lab Info: KMA; Lab Number: S13470
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