Debug Info

object
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_id
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3faCW7DR5kv
spectrumID
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3faCW7DR5kv
cost
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specType
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262144
xnmrNucleus
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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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Benzoate
SpectraBase Compound ID 3KpqdyFFrNc
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-M
Mol Weight 121.11 g/mol
Molecular Formula C7H5O2
Exact Mass 121.028954 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 3faCW7DR5kv
Name Benzoate anion
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H5O2
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Literature Reference R.I. Gelb, L.M. Schwartz, B. Cardelino, J. Am. Chem. Soc. 103, 1750 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O
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