Debug Info

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6TrFldG2U84
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6TrFldG2U84
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3-Benzoyl-1-(2-chlorotetrafluoroethyl)pyrrolo[2,1-a]isoquinoline

View entire compound with spectra: 1 MS (GC)

3-Benzoyl-1-(2-chlorotetrafluoroethyl)pyrrolo[2,1-a]isoquinoline
SpectraBase Compound ID w8bjcZZJrb
InChI InChI=1S/C21H12ClF4NO/c22-21(25,26)20(23,24)16-12-17(19(28)14-7-2-1-3-8-14)27-11-10-13-6-4-5-9-15(13)18(16)27/h1-12H
InChIKey OUCDYPFGFHQQEH-UHFFFAOYSA-N
Mol Weight 405.78 g/mol
Molecular Formula C21H12ClF4NO
Exact Mass 405.054354 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TrFldG2U84
Name 3-Benzoyl-1-(2-chlorotetrafluoroethyl)pyrrolo[2,1-a]isoquinoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12ClF4NO
InChI InChI=1S/C21H12ClF4NO/c22-21(25,26)20(23,24)16-12-17(19(28)14-7-2-1-3-8-14)27-11-10-13-6-4-5-9-15(13)18(16)27/h1-12H
InChIKey OUCDYPFGFHQQEH-UHFFFAOYSA-N
Molecular Weight 405.780 g/mol
SMILES c1(c-2[n](C=Cc3c2cccc3)c(c1)C(=O)c1ccccc1)C(C(Cl)(F)F)(F)F
SPLASH splash10-0a4i-2220900000-43aac7b26c43949dda73
Source of Spectrum SO-0-53-3
Synonyms [1-(2-chloro-1,1,2,2-tetrafluoroethyl)pyrrolo[2,1-a]isoquinolin-3-yl](phenyl)methanone
Wiley ID 876185
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