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5-HIAA-TFE-di-PFP

View entire compound with spectra: 1 MS (GC)

5-HIAA-TFE-di-PFP
SpectraBase Compound ID LKPnpBHHxYA
InChI InChI=1S/C18H8F13NO5/c19-14(20,21)6-36-11(33)3-7-5-32(12(34)15(22,23)17(26,27)28)10-2-1-8(4-9(7)10)37-13(35)16(24,25)18(29,30)31/h1-2,4-5H,3,6H2
InChIKey IAULBMZDIPIOBV-UHFFFAOYSA-N
Mol Weight 565.24 g/mol
Molecular Formula C18H8F13NO5
Exact Mass 565.019488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2s8xflexR7Q
Name 5-HIAA-TFE-di-PFP
Alternate Name(s) 3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,2,3,3,3-pentafluoropropanoyl)-1H-indol-5-yl 2,2,3,3,3-pentafluoropropanoate Trifluoroethyl-di(pentafluoropropionyl) 5-hydroxy-1H-indole-3-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H8F13NO5
InChI InChI=1S/C18H8F13NO5/c19-14(20,21)6-36-11(33)3-7-5-32(12(34)15(22,23)17(26,27)28)10-2-1-8(4-9(7)10)37-13(35)16(24,25)18(29,30)31/h1-2,4-5H,3,6H2
InChIKey IAULBMZDIPIOBV-UHFFFAOYSA-N
Molecular Weight 565.243 g/mol
SMILES C([n]1cc(CC(=O)OCC(F)(F)F)c2c1ccc(OC(C(C(F)(F)F)(F)F)=O)c2)(C(C(F)(F)F)(F)F)=O
SPLASH splash10-014r-2910620000-d7e52d723a1dbfcf461b
Source of Spectrum KO-14-203-11
Wiley ID 1407219