Debug Info

object
{15}
_id
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KbVNngrHZRZ
spectrumID
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KbVNngrHZRZ
cost
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specType
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262144
xnmrNucleus
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dbLocation
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WRX:140216:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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2-HYDROXY-4-METHYL-3-PHENYLAZO-1,5-BENZOTHIAZEPINE
SpectraBase Compound ID KBmqNwX8e
InChI InChI=1S/C18H17N3OS/c1-3-22-18-17(21-20-14-9-5-4-6-10-14)13(2)19-15-11-7-8-12-16(15)23-18/h4-12H,3H2,1-2H3/b21-20+
InChIKey ORXGLAZDRBHYMD-QZQOTICOSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbVNngrHZRZ
Name 2-HYDROXY-4-METHYL-3-PHENYLAZO-1,5-BENZOTHIAZEPINE
Compound Number 22A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c1-3-22-18-17(21-20-14-9-5-4-6-10-14)13(2)19-15-11-7-8-12-16(15)23-18/h4-12H,3H2,1-2H3/b21-20+
InChIKey ORXGLAZDRBHYMD-QZQOTICOSA-N
Literature Reference Author F.M.A.E.LATIF,E.A.EL-RADY,M.A.KHALIL,M.A.EL-MAGHRABY
Literature Reference Citation J.HETCYCL.CHEM.,39,299(2002)
Literature Reference DOI 10.1002/jhet.5570390209
Molecular Weight 323.412 g/mol
Solvent CDCl3
Source File Reference UWSI8558
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