Debug Info

object
{15}
_id
:
ELEOAUCFTNE
spectrumID
:
ELEOAUCFTNE
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
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WRX:287877:1
hasStructureAssignments
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true
properties
{11}
analyticalTechnique
:
13C NMR
analyticalTechniqueLongName
:
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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TFOTI(NRAR)3
SpectraBase Compound ID JdU24aJZ8Qz
InChI InChI=1S/3C12H18N.CHF3O3S.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;2-1(3,4)8(5,6)7;/h3*6-8H,1-5H3;(H,5,6,7);/q3*-1;;+4/p-1/i3*3D3,4D3;;
InChIKey NXRLQDONUKMLAS-OMHHJHDCSA-M
Mol Weight 743.9 g/mol
Molecular Formula C37H362H18F3N3O3STi
Exact Mass 743.444721 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 ELEOAUCFTNE
Name TFOTI(NRAR)3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H362H18F3N3O3STi
InChI InChI=1S/3C12H18N.CHF3O3S.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;2-1(3,4)8(5,6)7;/h3*6-8H,1-5H3;(H,5,6,7);/q3*-1;;+4/p-1/i3*3D3,4D3;;
InChIKey NXRLQDONUKMLAS-OMHHJHDCSA-M
Literature Reference Author J.C.PETERS,A.R.JOHNSON,A.L.ODOM,P.W.WANANDI,W.M.DAVIS,C.C.CU MMINS
Literature Reference Citation J.AM.CHEM.SOC.,118,10175(1996)
Literature Reference DOI 10.1021/ja960564w
Molecular Weight 743.900 g/mol
Sample ID 53627
Solvent CDCl3
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