Debug Info

object
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_id
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H6hSVxmlvFL
spectrumID
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H6hSVxmlvFL
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:354671:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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2,2,5,5-tetramethylcyclopent-1-yl p-toluenesulfonate
SpectraBase Compound ID ATL4TyRxAHV
InChI InChI=1S/C16H24O3S/c1-12-6-8-13(9-7-12)20(17,18)19-14-15(2,3)10-11-16(14,4)5/h6-9,14H,10-11H2,1-5H3
InChIKey ZCTBYPVFUTZBIK-UHFFFAOYSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6hSVxmlvFL
Name 2,2,5,5-tetramethylcyclopent-1-yl p-toluenesulfonate
CAS Registry Number 15587-83-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-12-6-8-13(9-7-12)20(17,18)19-14-15(2,3)10-11-16(14,4)5/h6-9,14H,10-11H2,1-5H3
InChIKey ZCTBYPVFUTZBIK-UHFFFAOYSA-N
Molecular Weight 296.425 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(CCC1(C)C)(C)C
SPLASH splash10-00di-2900000000-007202c8df35a458a782
Source of Spectrum J-53-3497-6
Synonyms 2,2,5,5-tetramethylcyclopentyl 4-methylbenzenesulfonate
Wiley ID 1299002
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