| SpectraBase Compound ID | 7HkRHyEFfWf |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3 |
| InChIKey | CVIVDRZPZOBMDR-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C9H17BrO2 |
| Exact Mass | 236.041193 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 | GWwkwDhS3ar |
|---|---|
| Name | 2- Bromopropionic acid, hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.041192785 u |
| Formula | C9H17BrO2 |
| InChI | InChI=1S/C9H17BrO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3 |
| InChIKey | CVIVDRZPZOBMDR-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | C(=O)(OCCCCCC)C(C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854193 |