Debug Info

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_id
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5oQ7Yhl0abt
spectrumID
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5oQ7Yhl0abt
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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2,4,6-Trinitrotoluene
SpectraBase Compound ID 3eF4ZueyGup
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N
Mol Weight 227.13 g/mol
Molecular Formula C7H5N3O6
Exact Mass 227.017835 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 5oQ7Yhl0abt
Name 2,4,6-TRINITRO-TOLUENE;TNT
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5N3O6
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N
Literature Reference Author M.SZALA,L.SZYMANCZYK
Literature Reference Citation C.EUR.J.EN.MAT.,11,129(2014)
Molecular Weight 227.133 g/mol
Solvent CDCl3
Source File Reference UWLU80626
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