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

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

1,4-dihydro-4-phenyl-4-p-tolyl-2H-3,1-benzoxazin-2-one
SpectraBase Compound ID BcUSHZDBiAT
InChI InChI=1S/C21H17NO2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-20(23)24-21/h2-14H,1H3,(H,22,23)
InChIKey TUALAJSXQWBSLX-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C21H17NO2
Exact Mass 315.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 25TgZjVlvXa
Name 1,4-Dihydro-4-phenyl-4-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 315.125928789 u
Formula C21H17NO2
InChI InChI=1S/C21H17NO2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-20(23)24-21/h2-14H,1H3,(H,22,23)
InChIKey TUALAJSXQWBSLX-UHFFFAOYSA-N
SMILES N1C=2C=CC=CC2C(OC1=O)(C=1C=CC=CC1)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Raman) 0.810584