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object
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_id
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H11IW88eY65
spectrumID
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H11IW88eY65
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specType
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262144
xnmrNucleus
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MET3X:191:2
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
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compound
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alpha-Naphthoic acid
SpectraBase Compound ID 9ZXKx6pYzWe
InChI InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
InChIKey LNETULKMXZVUST-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C11H8O2
Exact Mass 172.052429 g/mol
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13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H11IW88eY65
Name alpha-Naphthoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 86-55-5
Comments 100 mM alpha-naphthoic acid - vendor: Eastman Kodak 1774; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C11H8O2
IUPAC Name naphthalene-1-carboxylic acid
InChI InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
InChIKey LNETULKMXZVUST-UHFFFAOYSA-N
KEGG Compound ID C14091
KEGG Pathways PATH: map00624 1- and 2-Methylnaphthalene degradation
PubChem Compound ID 6847
SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)O
Source File Reference bmse000178
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