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Hexylene glycol 2HFB
SpectraBase Compound ID If1tHWYMe0n
InChI InChI=1S/C14H12F14O4/c1-5(31-6(29)9(15,16)11(19,20)13(23,24)25)4-8(2,3)32-7(30)10(17,18)12(21,22)14(26,27)28/h5H,4H2,1-3H3
InChIKey ZYWHSARSHBYROF-UHFFFAOYSA-N
Mol Weight 510.22 g/mol
Molecular Formula C14H12F14O4
Exact Mass 510.051203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HLJHvyZTPs
Name Hexylene glycol 2HFB
Classification Ingredient of cosmetics derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 510.051203144 u
Formula C14H12F14O4
InChI InChI=1S/C14H12F14O4/c1-5(31-6(29)9(15,16)11(19,20)13(23,24)25)4-8(2,3)32-7(30)10(17,18)12(21,22)14(26,27)28/h5H,4H2,1-3H3
InChIKey ZYWHSARSHBYROF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 510.224 g/mol
Nominal Mass 510 u
Quality 979
Retention Index 3443
SMILES C(C(C(OC(CC(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)(C)C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-05o0-9130000000-808c271f118358f16ce6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Methylpentane-2,4-diol 2HFB 4-((2,2,3,3,4,4,4-heptafluorobutanoyl)oxy)-2-methylpentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Technique GC/MS
Wiley ID DD2024_015181