Debug Info

object
{15}
_id
:
mCHXu9Avv
spectrumID
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mCHXu9Avv
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:565041:1
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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Benzenehexanoic acid, 2,5-dihydroxy-4-octadecyl-
SpectraBase Compound ID 8i7o7u5q2RU
InChI InChI=1S/C30H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-24-29(32)27(25-28(26)31)22-19-17-20-23-30(33)34/h24-25,31-32H,2-23H2,1H3,(H,33,34)
InChIKey IJHSYYIQLQEWQG-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H52O4
Exact Mass 476.38656 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mCHXu9Avv
Name Benzenehexanoic acid, 2,5-dihydroxy-4-octadecyl-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O4
InChI InChI=1S/C30H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-24-29(32)27(25-28(26)31)22-19-17-20-23-30(33)34/h24-25,31-32H,2-23H2,1H3,(H,33,34)
InChIKey IJHSYYIQLQEWQG-UHFFFAOYSA-N
Molecular Weight 476.742 g/mol
SMILES Oc1cc(c(cc1CCCCCC(O)=O)O)CCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4l-9410200000-325f8a06ab4d5842c2d2
Source of Spectrum JX-2015-4-820
Synonyms 6-(2,5-dihydroxy-4-octadecylphenyl)hexanoic acid 6-(2,5-dihydroxy-4-octadecyl-phenyl)hexanoic acid 6-[4-octadecyl-2,5-bis(oxidanyl)phenyl]hexanoic acid
Wiley ID 1726236
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