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

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

2-Benzoyl-1-oxo-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID CFMcAmcciyi
InChI InChI=1S/C16H13NO2/c18-15(13-7-2-1-3-8-13)17-11-10-12-6-4-5-9-14(12)16(17)19/h1-9H,10-11H2
InChIKey OJVLFVNBUMKNCW-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOZKzD6Oqts
Name 2-Benzoyl-1-oxo-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 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c18-15(13-7-2-1-3-8-13)17-11-10-12-6-4-5-9-14(12)16(17)19/h1-9H,10-11H2
InChIKey OJVLFVNBUMKNCW-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C1(N(CCC=2C=CC=CC12)C(C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838253