Debug Info

object
{15}
_id
:
Fcio2DfRlX0
spectrumID
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Fcio2DfRlX0
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:418154:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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Trans-2-(2-iodophenethyl)cyclohexanol
SpectraBase Compound ID HeDOUan7Sv9
InChI InChI=1S/C14H19IO/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1,3,5,7,12,14,16H,2,4,6,8-10H2/t12-,14+/m1/s1
InChIKey CEPXBLQZQORUOP-OCCSQVGLSA-N
Mol Weight 330.21 g/mol
Molecular Formula C14H19IO
Exact Mass 330.04806 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fcio2DfRlX0
Name trans-2-(2-iodophenethyl)cyclohexanol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19IO
InChI InChI=1S/C14H19IO/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1,3,5,7,12,14,16H,2,4,6,8-10H2/t12-,14+/m1/s1
InChIKey CEPXBLQZQORUOP-OCCSQVGLSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 330.209 g/mol
SMILES O[C@]1(CCCC[C@@]1(CCc1c(cccc1)I)[H])[H]
SPLASH splash10-001i-3390000000-895ecbff180782893d68
Source of Spectrum A1-16-924/SM24-arb14
Synonyms (1S,2R)-2-(2-iodophenethyl)cyclohexanol
Wiley ID 1747736
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