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4-benzoyl-2,3-dihydro-2-methylene-4H-1,4-benzoxazine
SpectraBase Compound ID DXmEDeMtAcl
InChI InChI=1S/C16H13NO2/c1-12-11-17(14-9-5-6-10-15(14)19-12)16(18)13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKey YVFAXQQSQCXREY-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EwtSCHfVtk7
Name 4-Benzoyl-2,3-dihydro-2-methylene-4H-1,4-benzoxazine
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/c1-12-11-17(14-9-5-6-10-15(14)19-12)16(18)13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKey YVFAXQQSQCXREY-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C=12C=CC=CC1OC(CN2C(C=1C=CC=CC1)=O)=C
Spectrum/Structure Validation Score (Raman) 0.987198