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(1S,3S)-1,2,3,4-Tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-b]indole-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,3S)-1,2,3,4-Tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-b]indole-3-carbonitrile
SpectraBase Compound ID GlaeRVXWoHU
InChI InChI=1S/C18H18F3N3O/c1-10(2)7-15-16-13(12-5-3-4-6-14(12)23-16)8-11(9-22)24(15)17(25)18(19,20)21/h3-6,10-11,15,23H,7-8H2,1-2H3/t11-,15-/m0/s1
InChIKey OMHFCBOZJGKGAM-NHYWBVRUSA-N
Mol Weight 349.36 g/mol
Molecular Formula C18H18F3N3O
Exact Mass 349.140197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7Oe6a2vPLJ
Name (1S,3S)-1,2,3,4-Tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-b]indole-3-carbonitrile
Alternate Name(s) (1S,3S)-1-isobutyl-2-(trifluoroacetyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F3N3O
InChI InChI=1S/C18H18F3N3O/c1-10(2)7-15-16-13(12-5-3-4-6-14(12)23-16)8-11(9-22)24(15)17(25)18(19,20)21/h3-6,10-11,15,23H,7-8H2,1-2H3/t11-,15-/m0/s1
InChIKey OMHFCBOZJGKGAM-NHYWBVRUSA-N
Molecular Weight 349.357 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@@](C2)(C#N)[H])C(C(F)(F)F)=O)(CC(C)C)[H]
SPLASH splash10-0006-0091000000-6afe865159f104ee26ea
Source of Spectrum H-79-161-7
Wiley ID 1341317