| SpectraBase Spectrum ID |
55wfO9NXNJT |
| Name |
8-Chloro-6-phenyl-2,3,4,6-tetrahydro-1H-1,5-benzoxazocin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.071306393 u |
| Formula |
C16H14ClNO2 |
| InChI |
InChI=1S/C16H14ClNO2/c17-12-6-7-14-13(10-12)16(11-4-2-1-3-5-11)20-9-8-15(19)18-14/h1-7,10,16H,8-9H2,(H,18,19) |
| InChIKey |
OMWOSSAUASNCOJ-UHFFFAOYSA-N |
| SMILES |
N1C(CCOC(C=2C1=CC=C(C2)Cl)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.975469 |