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2-Phenyl-3,4-dihydroisocarbostyril

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

2-Phenyl-3,4-dihydroisocarbostyril
SpectraBase Compound ID BwALG5a6ftV
InChI InChI=1S/C15H13NO/c17-15-14-9-5-4-6-12(14)10-11-16(15)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKey NQUKHFQYUSVVBI-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8haHLg8nuMj
Name 2-Phenyl-3,4-dihydroisocarbostyril
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.099714042 u
Formula C15H13NO
InChI InChI=1S/C15H13NO/c17-15-14-9-5-4-6-12(14)10-11-16(15)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKey NQUKHFQYUSVVBI-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES C1(N(CCC2=C1C=CC=C2)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869353