Debug Info

object
{15}
_id
:
GeXD4QNxh4E
spectrumID
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GeXD4QNxh4E
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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CNHS2X:70032:1
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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false
spectralOutlier
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false
compound
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lastUpdated
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1735074081058
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false

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3-(2',5'-Dimethoxybenzoyl)pyrrole
SpectraBase Compound ID 6Vujv3ZP1FK
InChI InChI=1S/C13H13NO3/c1-16-10-3-4-12(17-2)11(7-10)13(15)9-5-6-14-8-9/h3-8,14H,1-2H3
InChIKey ITNGDNPQCBUOHZ-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 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 GeXD4QNxh4E
Name 3-(2',5'-Dimethoxybenzoyl)pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.089543280 u
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-16-10-3-4-12(17-2)11(7-10)13(15)9-5-6-14-8-9/h3-8,14H,1-2H3
InChIKey ITNGDNPQCBUOHZ-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C=1(C(C2=CNC=C2)=O)C(=CC=C(C1)OC)OC
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