Debug Info

object
{15}
_id
:
64hjux9SUu8
spectrumID
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64hjux9SUu8
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:423150:1
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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cp 47,497-para-Quinone analog
SpectraBase Compound ID LUq5HF2kNaE
InChI InChI=1S/C21H32O3/c1-4-5-6-7-11-21(2,3)18-14-19(23)17(13-20(18)24)15-9-8-10-16(22)12-15/h13-16,22H,4-12H2,1-3H3/t15-,16+/m0/s1
InChIKey HJSQDMFICBAVFK-JKSUJKDBSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64hjux9SUu8
Name CP 47,497-para-quinone analog
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-4-5-6-7-11-21(2,3)18-14-19(23)17(13-20(18)24)15-9-8-10-16(22)12-15/h13-16,22H,4-12H2,1-3H3/t15-,16+/m0/s1
InChIKey HJSQDMFICBAVFK-JKSUJKDBSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@]1(C[C@](CCC1)(C1=CC(C(=CC1=O)C(CCCCCC)(C)C)=O)[H])[H]
SPLASH splash10-0hfx-5950000000-e83e79f52ef67275cac2
Source of Spectrum SWG-33-2582-0
Synonyms 3'R-hydroxy-4-(2-methyloctan-2-yl)-[1,1'S-bi(cyclohexane)]-3,6-diene-2,5-dione (1'S,3'R)-3'-hydroxy-4-(2-methyloctan-2-yl)-[1,1'-bi(cyclohexane)]-3,6-diene-2,5-dione
Wiley ID 1809721
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