Debug Info

object
{15}
_id
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IpfGLqf5zuv
spectrumID
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IpfGLqf5zuv
cost
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1
specType
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262144
xnmrNucleus
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WRX:70369:1
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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5-CYANOMETHYLENE-3-METHYL-1-PHENYLPYRAZOLE
SpectraBase Compound ID JMxqm4XaMFE
InChI InChI=1S/C12H11N3/c1-10-9-12(7-8-13)15(14-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3
InChIKey TTWQCSBGUKHALW-UHFFFAOYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C12H11N3
Exact Mass 197.095297 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 IpfGLqf5zuv
Name 5-CYANOMETHYLENE-3-METHYL-1-PHENYLPYRAZOLE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3
InChI InChI=1S/C12H11N3/c1-10-9-12(7-8-13)15(14-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3
InChIKey TTWQCSBGUKHALW-UHFFFAOYSA-N
Literature Reference Author C.B.VICENTINI,M.MANFRINI,M.MAZZANTI,A.C.VERONESE
Literature Reference Citation HETEROCYCLES,50,791(1999)
Literature Reference DOI 10.3987/COM-98-S(H)73
Molecular Weight 197.239 g/mol
Solvent CDCl3
Source File Reference UWRU2968
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