Debug Info

object
{15}
_id
:
HPJUoTB2twa
spectrumID
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HPJUoTB2twa
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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CNHS5X:9344:1
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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spectralOutlier
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compound
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1735074081058
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Butanoic acid, 4-[(4-acetylphenyl)amino]-4-oxo-, methyl ester
SpectraBase Compound ID E67pRR7Qevq
InChI InChI=1S/C13H15NO4/c1-9(15)10-3-5-11(6-4-10)14-12(16)7-8-13(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKey FSGPLFFTRCTCFQ-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 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 HPJUoTB2twa
Name Butanoic acid, 4-[(4-acetylphenyl)amino]-4-oxo-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.100107963 u
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-9(15)10-3-5-11(6-4-10)14-12(16)7-8-13(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKey FSGPLFFTRCTCFQ-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES N(C(=O)CCC(=O)OC)C=1C=CC(C(=O)C)=CC1
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