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2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-1-(3',3',3'-trichloro-2'-oxopropyl)-.beta.-carboline
SpectraBase Compound ID 5DY0F12kZaK
InChI InChI=1S/C16H12Cl3F3N2O2/c17-15(18,19)12(25)7-11-13-9(8-3-1-2-4-10(8)23-13)5-6-24(11)14(26)16(20,21)22/h1-4,11,23H,5-7H2
InChIKey LGHQXESCLMKIDS-UHFFFAOYSA-N
Mol Weight 427.64 g/mol
Molecular Formula C16H12Cl3F3N2O2
Exact Mass 425.991645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3rXqkIVs5f
Name 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-1-(3',3',3'-trichloro-2'-oxopropyl)-.beta.-carboline
CAS Registry Number 142656-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl3F3N2O2
InChI InChI=1S/C16H12Cl3F3N2O2/c17-15(18,19)12(25)7-11-13-9(8-3-1-2-4-10(8)23-13)5-6-24(11)14(26)16(20,21)22/h1-4,11,23H,5-7H2
InChIKey LGHQXESCLMKIDS-UHFFFAOYSA-N
Molecular Weight 427.638 g/mol
SMILES [nH]1c2ccccc2c2CCN(C(c12)CC(C(Cl)(Cl)Cl)=O)C(C(F)(F)F)=O
SPLASH splash10-00kf-9284100000-fcb5325088a2b90089dd
Source of Spectrum U-1992-1067-7
Synonyms 1,1,1-trichloro-3-[2-(trifluoroacetyl)-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl]acetone
Wiley ID 764513