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2,6-Heptanediol, 1,1,1,7,7,7-hexafluoro-4-methylene-3-(1-methylethylidene)-2,6-bis(tri fluoromethyl)-
SpectraBase Compound ID DfiavR4uWtR
InChI InChI=1S/C13H12F12O2/c1-5(2)7(9(27,12(20,21)22)13(23,24)25)6(3)4-8(26,10(14,15)16)11(17,18)19/h26-27H,3-4H2,1-2H3
InChIKey IQUZHVZNDYYROE-UHFFFAOYSA-N
Mol Weight 428.22 g/mol
Molecular Formula C13H12F12O2
Exact Mass 428.064568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9E6krCX7kI
Name 2,6-Heptanediol, 1,1,1,7,7,7-hexafluoro-4-methylene-3-(1-methylethylidene)-2,6-bis(tri fluoromethyl)-
CAS Registry Number 68930-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F12O2
InChI InChI=1S/C13H12F12O2/c1-5(2)7(9(27,12(20,21)22)13(23,24)25)6(3)4-8(26,10(14,15)16)11(17,18)19/h26-27H,3-4H2,1-2H3
InChIKey IQUZHVZNDYYROE-UHFFFAOYSA-N
Molecular Weight 428.218 g/mol
SMILES OC(CC(C(C(C(F)(F)F)(C(F)(F)F)O)=C(C)C)=C)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0006-9010100000-6e76095f5622297b7453
Source of Spectrum KC-1978-1168-0
Synonyms 1,1,1,7,7,7-hexafluoro-4-methylene-3-(1-methylethylidene)-2,6-bis(trifluoromethyl)-2,6-heptanediol 1,1,1,7,7,7-Hexafluoro-5-isopropylidene-4-methylene-2,6-bis(trifluoromethyl)-heptane-2,6-diol
Wiley ID 1380523