| SpectraBase Spectrum ID |
Hj6zqKHxqr3 |
| Name |
2,3-Dihydro-2(S)-methyl-8-bromo-1,5-benzoxazepin-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.989491564 u |
| Formula |
C10H10BrNO2 |
| InChI |
InChI=1S/C10H10BrNO2/c1-6-4-10(13)12-8-3-2-7(11)5-9(8)14-6/h2-3,5-6H,4H2,1H3,(H,12,13)/t6-/m0/s1 |
| InChIKey |
WVHRVHNRGNTGHM-LURJTMIESA-N |
| SMILES |
C1(NC=2C(O[C@](C1)(C)[H])=CC(=CC2)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9152 |
