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2-Benzoyl-1-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Benzoyl-1-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID GfhLWLBvYDe
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)16(23)15-14-9-5-4-6-12(14)10-11-22(15)17(24)13-7-2-1-3-8-13/h1-9,15H,10-11H2
InChIKey IHDIVKRFERMCQH-UHFFFAOYSA-N
Mol Weight 333.31 g/mol
Molecular Formula C18H14F3NO2
Exact Mass 333.097663 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CRl6N0p9Bnc
Name 2-Benzoyl-1-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.097663182 u
Formula C18H14F3NO2
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)16(23)15-14-9-5-4-6-12(14)10-11-22(15)17(24)13-7-2-1-3-8-13/h1-9,15H,10-11H2
InChIKey IHDIVKRFERMCQH-UHFFFAOYSA-N
Molecular Weight 333.310 g/mol
SMILES C1(N(CCC=2C=CC=CC12)C(=O)C1=CC=CC=C1)C(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832746