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3-(7-CHLOROTETRADECAFLUOROHEPTYL)-4-(3-HYDROXYPROPYL)-PYRAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(7-CHLOROTETRADECAFLUOROHEPTYL)-4-(3-HYDROXYPROPYL)-PYRAZOLE
SpectraBase Compound ID 3KNLj89EkzV
InChI InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-5(2-1-3-31)4-29-30-6/h4,31H,1-3H2,(H,29,30)
InChIKey SOOZIAMDPZCOEF-UHFFFAOYSA-N
Mol Weight 510.66 g/mol
Molecular Formula C13H9ClF14N2O
Exact Mass 510.017985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uNQ2YQAP9n
Name 3-[5-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-heptyl)-1H-pyrazol-4-yl]propan-1-ol
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Formula C13H9ClF14N2O
InChI InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-5(2-1-3-31)4-29-30-6/h4,31H,1-3H2,(H,29,30)
InChIKey SOOZIAMDPZCOEF-UHFFFAOYSA-N
Molecular Weight 510.659 g/mol
SMILES [nH]1cc(CCCO)c(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)n1
SPLASH splash10-0006-0600900000-175d5b086a25d46a7f34
Source of Spectrum KC-0-1043-4
Synonyms 3-[5-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)-1H-pyrazol-4-yl]-1-propanol 3-[5-[7-chloranyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecakis(fluoranyl)heptyl]-1H-pyrazol-4-yl]propan-1-ol
Wiley ID 783607