Debug Info

object
{15}
_id
:
DliLm2YUAOG
spectrumID
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DliLm2YUAOG
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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NCX:991:1
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
{10}
lastUpdated
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1735074081058
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false

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SpectraBase Compound ID 7E2G5g3nIeB
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 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 DliLm2YUAOG
Name OCTANOIC ACID, METHYL ESTER
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 61-63C/5mm
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Molecular Weight 158.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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