Debug Info

object
{15}
_id
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F0kG9Uvbrr4
spectrumID
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F0kG9Uvbrr4
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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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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cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl octyl ester
SpectraBase Compound ID 5gKCx1cslFt
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey FCEWMBJFASQACB-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0kG9Uvbrr4
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl octyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey FCEWMBJFASQACB-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCCC)=O)C(OCCCCCCCCCCCC)=O
SPLASH splash10-00fr-9720000000-ef3e687fd7bfc04b3f55
Source of Spectrum TIPS-2023-817-0
Wiley ID 1885523
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