Debug Info

object
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_id
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3xcylPeH52L
spectrumID
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3xcylPeH52L
cost
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specType
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WMSL3X:30841:1
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MS (GC)
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Mass Spectrum (GC)
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4-Tert-butyl-1-(trifluoromethyl)cyclohexanol
SpectraBase Compound ID L4fyITCmPIo
InChI InChI=1S/C11H19F3O/c1-9(2,3)8-4-6-10(15,7-5-8)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKey LELXUBDAVIEFCC-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H19F3O
Exact Mass 224.1388 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xcylPeH52L
Name 4-tert-butyl-1-(trifluoromethyl)cyclohexanol
CAS Registry Number 120714-68-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19F3O
InChI InChI=1S/C11H19F3O/c1-9(2,3)8-4-6-10(15,7-5-8)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKey LELXUBDAVIEFCC-UHFFFAOYSA-N
Molecular Weight 224.267 g/mol
SMILES OC1(C(F)(F)F)CCC(C(C)(C)C)CC1
SPLASH splash10-0a4i-9000000000-69f67fe61dff0d2511a6
Source of Spectrum F-45-1428-0
Synonyms 4-tert-butyl-1-(trifluoromethyl)-1-cyclohexanol
Wiley ID 1224825
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