For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SpectraBase Compound ID KCcVK64plCl
InChI InChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17)
InChIKey HGXKVNRBKJMVLX-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E4kPFhhIrZa
Name 4-Phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.110613078 u
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17)
InChIKey HGXKVNRBKJMVLX-UHFFFAOYSA-N
Molecular Weight 226.279 g/mol
SMILES C1(=NNC(C=2CCCCC12)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960832