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2-[5-tert-butyl-2-chloranyl-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol

View entire compound with spectra: 1 MS (GC)

2-[5-tert-butyl-2-chloranyl-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol
SpectraBase Compound ID 44VZrj0Bo23
InChI InChI=1S/C16H13ClF12O2/c1-10(2,3)6-4-7(11(30,13(18,19)20)14(21,22)23)9(17)8(5-6)12(31,15(24,25)26)16(27,28)29/h4-5,30-31H,1-3H3
InChIKey PLEUTUZTPAEFEK-UHFFFAOYSA-N
Mol Weight 500.71 g/mol
Molecular Formula C16H13ClF12O2
Exact Mass 500.041245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTNpaWoqbh5
Name 2-[5-tert-butyl-2-chloranyl-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol
CAS Registry Number 101697-30-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClF12O2
InChI InChI=1S/C16H13ClF12O2/c1-10(2,3)6-4-7(11(30,13(18,19)20)14(21,22)23)9(17)8(5-6)12(31,15(24,25)26)16(27,28)29/h4-5,30-31H,1-3H3
InChIKey PLEUTUZTPAEFEK-UHFFFAOYSA-N
Molecular Weight 500.712 g/mol
SMILES OC(c1c(c(C(C(F)(F)F)(C(F)(F)F)O)cc(c1)C(C)(C)C)Cl)(C(F)(F)F)C(F)(F)F
SPLASH splash10-000i-0000900000-73c55bff1b6f79b5e329
Source of Spectrum C-108-3805-11
Synonyms 2-[5-tert-butyl-2-chloro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol 2-[5-tert-butyl-2-chloro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol 2-[5-tert-butyl-2-chloro-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Wiley ID 1398770