| SpectraBase Spectrum ID |
9aUCsGOjnA1 |
| Name |
2,3-Dibromo-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.900004532 u |
| Formula |
C10H9Br2NO2 |
| InChI |
InChI=1S/C10H9Br2NO2/c1-5-2-10(14)13-8-3-6(11)7(12)4-9(8)15-5/h3-5H,2H2,1H3,(H,13,14) |
| InChIKey |
CCHIJKSOZYTABB-UHFFFAOYSA-N |
| Molecular Weight |
334.995 g/mol |
| SMILES |
C1(Br)=CC=2NC(=O)CC(OC2C=C1Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851585 |
