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1,4-dihydro-4,4-di-p-tolyl-2H-3,1-benzoxazin-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

1,4-dihydro-4,4-di-p-tolyl-2H-3,1-benzoxazin-2-one
SpectraBase Compound ID 2V09pZo7cu8
InChI InChI=1S/C22H19NO2/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)19-5-3-4-6-20(19)23-21(24)25-22/h3-14H,1-2H3,(H,23,24)
InChIKey NWWYUNLKICRVTB-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C22H19NO2
Exact Mass 329.141579 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8JtKWDcdW8s
Name 1,4-Dihydro-4,4-di-p-tolyl-2H-3,1-benzoxazin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.141578854 u
Formula C22H19NO2
InChI InChI=1S/C22H19NO2/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)19-5-3-4-6-20(19)23-21(24)25-22/h3-14H,1-2H3,(H,23,24)
InChIKey NWWYUNLKICRVTB-UHFFFAOYSA-N
SMILES N1C=2C=CC=CC2C(OC1=O)(C=1C=CC(=CC1)C)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Raman) 0.994403