Debug Info

object
{15}
_id
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BxtJOZng6V7
spectrumID
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BxtJOZng6V7
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:146652:1
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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compound
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1735074081058
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6-METHOXY-13-IODO-8-AZA-TRICYCLO-[7.3.1.0(2,7)]-TRIDECA-2,4,6-TRIENE
SpectraBase Compound ID JYbeLMqI5RY
InChI InChI=1S/C13H16INO/c1-16-11-7-3-5-9-8-4-2-6-10(12(8)14)15-13(9)11/h3,5,7-8,10,12,15H,2,4,6H2,1H3/t8?,10-,12-/m1/s1
InChIKey JUKSVJLLSMNWIH-JAKHEFHJSA-N
Mol Weight 329.18 g/mol
Molecular Formula C13H16INO
Exact Mass 329.027659 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 BxtJOZng6V7
Name 6-METHOXY-13-IODO-8-AZA-TRICYCLO-[7.3.1.0(2,7)]-TRIDECA-2,4,6-TRIENE
Compound Number XII
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16INO
InChI InChI=1S/C13H16INO/c1-16-11-7-3-5-9-8-4-2-6-10(12(8)14)15-13(9)11/h3,5,7-8,10,12,15H,2,4,6H2,1H3/t8?,10-,12-/m1/s1
InChIKey JUKSVJLLSMNWIH-JAKHEFHJSA-N
Literature Reference Author R.R.GATAULLIN,F.F.MINNIGULOV,A.A.FATYKHOV,L.V.SPIRIKHIN,I.B. ABDRAKHMANOV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1289(2001)
Literature Reference DOI 10.1023/A:1013183605455
Molecular Weight 329.181 g/mol
Solvent CDCl3
Source File Reference UWVN5658
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