Debug Info

object
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_id
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2CwPv71lg88
spectrumID
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2CwPv71lg88
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:176087:1
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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OLBRBNUSZFYIPC-ZQHSETAFSA-N
SpectraBase Compound ID ElIvU6wjmhg
InChI InChI=1S/C25H22N4O3/c1-26-17-7-9-19(10-8-17)28-29-23-21-6-4-3-5-16(21)15-22(24(23)30)25(31)27-18-11-13-20(32-2)14-12-18/h3-15,26,30H,1-2H3,(H,27,31)/b29-28+
InChIKey OLBRBNUSZFYIPC-ZQHSETAFSA-N
Mol Weight 426.48 g/mol
Molecular Formula C25H22N4O3
Exact Mass 426.169191 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 2CwPv71lg88
Name OLBRBNUSZFYIPC-ZQHSETAFSA-N
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N4O3
InChI InChI=1S/C25H22N4O3/c1-26-17-7-9-19(10-8-17)28-29-23-21-6-4-3-5-16(21)15-22(24(23)30)25(31)27-18-11-13-20(32-2)14-12-18/h3-15,26,30H,1-2H3,(H,27,31)/b29-28+
InChIKey OLBRBNUSZFYIPC-ZQHSETAFSA-N
Literature Reference Author K.S.CHEON,P.M.KAZMAIER,S.R.KEUM,K.T.PARK,E.BUNCEL
Literature Reference Citation CAN.J.CHEM.,82,551(2004)
Literature Reference DOI 10.1139/v04-009
Molecular Weight 426.475 g/mol
Solvent DMSO-D6
Source File Reference UWVN27582
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