| 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 |