| SpectraBase Compound ID | CUabgasN2Kr |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h4-6H,3H2,1-2H3 |
| InChIKey | TUJCLGCCANBOBE-UHFFFAOYSA-N |
| Mol Weight | 259.1 g/mol |
| Molecular Formula | C10H11BrO3 |
| Exact Mass | 257.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hnco9V0V0Gt |
|---|---|
| Name | 2C-B-m (Deamino-oxo-) P644 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.989157211 u |
| Formula | C10H11BrO3 |
| InChI | InChI=1S/C10H11BrO3/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h4-6H,3H2,1-2H3 |
| InChIKey | TUJCLGCCANBOBE-UHFFFAOYSA-N |
| Molecular Weight | 259.099 g/mol |
| SMILES | C=1(C=C(CC=O)C(OC)=CC1Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955499 |