| SpectraBase Compound ID | IvZJWFUjMim |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3 |
| InChIKey | NNXPRNIJPMFOCM-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4tpaCpR9Q7U |
|---|---|
| Name | 3-Acetoxy-2-benzylpropyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3 |
| InChIKey | NNXPRNIJPMFOCM-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC(CC1=CC=CC=C1)CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810774 |