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2-Amino-1-phenylethanol, N,O-bis(heptafluorobutyryl)-
SpectraBase Compound ID L3tzR5g3eHJ
InChI InChI=1S/C16H9F14NO3/c17-11(18,13(21,22)15(25,26)27)9(32)31-6-8(7-4-2-1-3-5-7)34-10(33)12(19,20)14(23,24)16(28,29)30/h1-5,8H,6H2,(H,31,32)
InChIKey NXKYNDOXUWFJJJ-UHFFFAOYSA-N
Mol Weight 529.23 g/mol
Molecular Formula C16H9F14NO3
Exact Mass 529.035887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC3Yl0NrDBE
Name 2-Amino-1-phenylethanol, N,O-bis(heptafluorobutyryl)-
Alternate Name(s) [2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylethyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CAS Registry Number 959257-87-5
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F14NO3
InChI InChI=1S/C16H9F14NO3/c17-11(18,13(21,22)15(25,26)27)9(32)31-6-8(7-4-2-1-3-5-7)34-10(33)12(19,20)14(23,24)16(28,29)30/h1-5,8H,6H2,(H,31,32)
InChIKey NXKYNDOXUWFJJJ-UHFFFAOYSA-N
Molecular Weight 529.230 g/mol
SMILES N(CC(c1ccccc1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-014i-8924000000-46222217d5846b5d5b59
Source of Spectrum AD-0-5211-0
Wiley ID 63830