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3-Perfluorooctyl-1,5-dimethyl-1,2,4-triazole

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3-Perfluorooctyl-1,5-dimethyl-1,2,4-triazole
SpectraBase Compound ID KoQDtQXOcfX
InChI InChI=1S/C12H6F17N3/c1-3-30-4(31-32(3)2)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-2H3
InChIKey KGVUMYAJUJPWRX-UHFFFAOYSA-N
Mol Weight 515.17 g/mol
Molecular Formula C12H6F17N3
Exact Mass 515.029026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Arvlkw4kJ5
Name 3-Perfluorooctyl-1,5-dimethyl-1,2,4-triazole
Alternate Name(s) 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,5-dimethyl-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F17N3
InChI InChI=1S/C12H6F17N3/c1-3-30-4(31-32(3)2)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-2H3
InChIKey KGVUMYAJUJPWRX-UHFFFAOYSA-N
Molecular Weight 515.174 g/mol
SMILES c1(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc(C)[n](n1)C
SPLASH splash10-0002-2900000000-74e7176ba2b2fa44fd3e
Source of Spectrum F-69-1399-5
Wiley ID 1594724