Debug Info

object
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_id
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KhwliXMRyDT
spectrumID
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KhwliXMRyDT
cost
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1
specType
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8388608
xnmrNucleus
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dbLocation
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NY2X:13702:1
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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1735074081058
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phenol, 2-[2-amino-5-(4-chlorophenyl)-4-pyrimidinyl]-5-methoxy-
SpectraBase Compound ID 8PYsmpMxUuU
InChI InChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9,22H,1H3,(H2,19,20,21)
InChIKey DHSJYHPODSCJGO-UHFFFAOYSA-N
Mol Weight 327.77 g/mol
Molecular Formula C17H14ClN3O2
Exact Mass 327.077454 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 KhwliXMRyDT
Name phenol, 2-[2-amino-5-(4-chlorophenyl)-4-pyrimidinyl]-5-methoxy-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9,22H,1H3,(H2,19,20,21)
InChIKey DHSJYHPODSCJGO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6702
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: NMR/18251373; Labnumber: 2309242
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