Debug Info

object
{15}
_id
:
Am56DtIPxcT
spectrumID
:
Am56DtIPxcT
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:555795:1
hasStructureAssignments
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false
properties
{15}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
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false

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1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododecane
SpectraBase Compound ID 975LWP6stRs
InChI InChI=1S/C12H16F9I/c1-2-3-4-5-6-8(22)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h8H,2-7H2,1H3
InChIKey NBGPKUJGJLFFFP-UHFFFAOYSA-N
Mol Weight 458.15 g/mol
Molecular Formula C12H16F9I
Exact Mass 458.015299 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am56DtIPxcT
Name 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodododecane
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F9I
InChI InChI=1S/C12H16F9I/c1-2-3-4-5-6-8(22)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h8H,2-7H2,1H3
InChIKey NBGPKUJGJLFFFP-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5050
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.091
Molecular Weight 458.150 g/mol
Reported Formula C12H16F9I
SMILES C(C(C(C(CC(I)CCCCCC)(F)F)(F)F)(F)F)(F)(F)F
SPLASH splash10-0a4i-9021000000-b59e450ee1e899c6dfed
Source of Spectrum ARK-2015-197-9
Wiley ID 1843391
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