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3-[5-[1,1,2,2,3,3,4,4-octafluoro-4-[4-(3-hydroxypropyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-4-yl]-1-propanol
SpectraBase Compound ID c0my8f79Uh
InChI InChI=1S/C16H18F8N4O2/c17-13(18,11-9(3-1-5-29)7-25-27-11)15(21,22)16(23,24)14(19,20)12-10(4-2-6-30)8-26-28-12/h7-8,29-30H,1-6H2,(H,25,27)(H,26,28)
InChIKey OPWAGRJHKGUANH-UHFFFAOYSA-N
Mol Weight 450.33 g/mol
Molecular Formula C16H18F8N4O2
Exact Mass 450.130201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuwU4HdV3O1
Name 3-[5-[1,1,2,2,3,3,4,4-octafluoro-4-[4-(3-hydroxypropyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-4-yl]-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F8N4O2
InChI InChI=1S/C16H18F8N4O2/c17-13(18,11-9(3-1-5-29)7-25-27-11)15(21,22)16(23,24)14(19,20)12-10(4-2-6-30)8-26-28-12/h7-8,29-30H,1-6H2,(H,25,27)(H,26,28)
InChIKey OPWAGRJHKGUANH-UHFFFAOYSA-N
Molecular Weight 450.333 g/mol
SMILES [nH]1cc(c(C(C(C(C(c2c(CCCO)c[nH]n2)(F)F)(F)F)(F)F)(F)F)n1)CCCO
SPLASH splash10-100a-3819800000-be903a883ddd9a90b614
Source of Spectrum KC-0-1043-4
Synonyms 3-[5-[1,1,2,2,3,3,4,4-octafluoro-4-[4-(3-hydroxypropyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-4-yl]propan-1-ol 3-[5-[1,1,2,2,3,3,4,4-octakis(fluoranyl)-4-[4-(3-oxidanylpropyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-4-yl]propan-1-ol
Wiley ID 783606