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(E)-1-(4-Bromo-2,6-bis(heptafluoropropyl)-phenyl)-3,3-diisopropyltriaz-1-ene
SpectraBase Compound ID JPtYLpBQweH
InChI InChI=1S/C18H16BrF14N3/c1-7(2)36(8(3)4)35-34-12-10(13(20,21)15(24,25)17(28,29)30)5-9(19)6-11(12)14(22,23)16(26,27)18(31,32)33/h5-8H,1-4H3/b35-34+
InChIKey XFQYIHLCHHYPNN-XAHDOWKMSA-N
Mol Weight 620.23 g/mol
Molecular Formula C18H16BrF14N3
Exact Mass 619.030405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x6GQ9Je0fQ
Name (E)-1-(4-Bromo-2,6-bis(heptafluoropropyl)-phenyl)-3,3-diisopropyltriaz-1-ene
Alternate Name(s) (E)-1-(4-bromo-2,6-bis(perfluoropropyl)phenyl)-3,3-diisopropyltriaz-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrF14N3
InChI InChI=1S/C18H16BrF14N3/c1-7(2)36(8(3)4)35-34-12-10(13(20,21)15(24,25)17(28,29)30)5-9(19)6-11(12)14(22,23)16(26,27)18(31,32)33/h5-8H,1-4H3/b35-34+
InChIKey XFQYIHLCHHYPNN-XAHDOWKMSA-N
Literature Reference DOI 10.1021/jo401145g
Molecular Weight 620.229 g/mol
SMILES C(F)(C(F)(F)c1cc(cc(C(C(F)(F)C(F)(F)F)(F)F)c1\N=N\N(C(C)C)C(C)C)Br)(C(F)(F)F)F
SPLASH splash10-0udi-0900000000-bee69b1a1e0fe28bbd08
Source of Spectrum J-78-7943-5b
Wiley ID 1745702