| SpectraBase Compound ID | EHaK1db3XJ4 |
|---|---|
| InChI | InChI=1S/C11H11BrN2O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6,11,15H,1-2,5H2 |
| InChIKey | AUQWYMCHCXUVHQ-UHFFFAOYSA-N |
| Mol Weight | 267.13 g/mol |
| Molecular Formula | C11H11BrN2O |
| Exact Mass | 266.005476 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Df7YZpPKO6e |
|---|---|
| Name | 6-Bromo-peganol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.005475981 u |
| Formula | C11H11BrN2O |
| InChI | InChI=1S/C11H11BrN2O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6,11,15H,1-2,5H2 |
| InChIKey | AUQWYMCHCXUVHQ-UHFFFAOYSA-N |
| SMILES | C1(N2C(=NC3=CC=C(C=C13)Br)CCC2)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860658 |