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2,2,2-trifluoro-1-[5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]ethan-1-one
SpectraBase Compound ID 46D0SPJTODG
InChI InChI=1S/C13H7F6NO2/c1-6-2-3-9-7(4-6)8(10(21)12(14,15)16)5-20(9)11(22)13(17,18)19/h2-5H,1H3
InChIKey HWGPHYCGOJQOKH-UHFFFAOYSA-N
Mol Weight 323.19 g/mol
Molecular Formula C13H7F6NO2
Exact Mass 323.038097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J5ftUblLCy
Name 2,2,2-trifluoro-1-[5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]ethan-1-one
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.038097445 u
Formula C13H7F6NO2
GC Column RTX-1 (105 m x 0.25 mm, film thickness 0.5 micrometer)
GC Oven Program Oven temp 320 oC
InChI InChI=1S/C13H7F6NO2/c1-6-2-3-9-7(4-6)8(10(21)12(14,15)16)5-20(9)11(22)13(17,18)19/h2-5H,1H3
InChIKey HWGPHYCGOJQOKH-UHFFFAOYSA-N
Instrument Name MS-80
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240170608
Molecular Weight 323.194 g/mol
Quality 398
SMILES C=1(C=CC=2N(C=C(C(C(F)(F)F)=O)C2C1)C(=O)C(F)(F)F)C
SPLASH splash10-0zfr-3893000000-0962209273641afddf9d
Source of Spectrum HRC-17-423-Figure 5a (DOI: 10.1002/jhrc.1240170608)
Wiley ID 1910846