| SpectraBase Compound ID | BnPiTB2tLWN |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | ZSYOYENDJOYHOV-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 | 5AnmoUMpznG |
|---|---|
| Name | 4-Bromophenol, o-(N-propyloxycarbonyl)- |
| 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/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | ZSYOYENDJOYHOV-UHFFFAOYSA-N |
| Molecular Weight | 259.099 g/mol |
| SMILES | C1=CC(=CC=C1OC(OCCC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807473 |