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object
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_id
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9nAd3Ic2TiI
spectrumID
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9nAd3Ic2TiI
cost
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specType
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262144
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WRX:46042:1
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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1735074081058
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2,4,5,6-TETRAMETHYL-R-2,T-5,C-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID 2jshcmRDiPY
InChI InChI=1S/C10H13N3O7/c1-6-5-8(2,11(15)16)7(14)10(4,13(19)20)9(6,3)12(17)18/h5H,1-4H3/t8-,9-,10-/m0/s1
InChIKey YSRNPTOGHPHASS-GUBZILKMSA-N
Mol Weight 287.23 g/mol
Molecular Formula C10H13N3O7
Exact Mass 287.07535 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 9nAd3Ic2TiI
Name 2,4,5,6-TETRAMETHYL-R-2,T-5,C-6-TRINITROCYCLOHEX-3-ENONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13N3O7
InChI InChI=1S/C10H13N3O7/c1-6-5-8(2,11(15)16)7(14)10(4,13(19)20)9(6,3)12(17)18/h5H,1-4H3/t8-,9-,10-/m0/s1
InChIKey YSRNPTOGHPHASS-GUBZILKMSA-N
Literature Reference Author J.L.CALVERT,M.P.HARTSHORN,W.T.ROBINSON,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,46,1629(1993)
Literature Reference DOI 10.1071/ch9931629
Molecular Weight 287.229 g/mol
Solvent CDCl3
Source File Reference UWTS4145
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