Debug Info

object
{15}
_id
:
LnXq2cV5Ahg
spectrumID
:
LnXq2cV5Ahg
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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NOX:188348:1
hasStructureAssignments
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true
properties
{12}
analyticalTechnique
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13C NMR
analyticalTechniqueLongName
:
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
isDeprecated
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false

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Pentane
SpectraBase Compound ID 4O7Q4DmG2aA
InChI InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey OFBQJSOFQDEBGM-UHFFFAOYSA-N
Mol Weight 72.15 g/mol
Molecular Formula C5H12
Exact Mass 72.0939 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 LnXq2cV5Ahg
Name Pentane
CAS Registry Number 109-66-0
Comments SPECTRA AT DIFFERENT TEMPERATURES REPORTED IN REF.
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C5H12
InChI InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey OFBQJSOFQDEBGM-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference H.J. Schneider, W. Freitag, J. Am. Chem. Soc. 98, 478 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid
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