| SpectraBase Compound ID | 6WnmL0Y0z9M |
|---|---|
| InChI | InChI=1S/C9H15BrO2/c10-7(8(11)5-1-2-5)9(12)6-3-4-6/h5-9,11-12H,1-4H2 |
| InChIKey | XGNFIWXGMCPSLX-UHFFFAOYSA-N |
| Mol Weight | 235.12 g/mol |
| Molecular Formula | C9H15BrO2 |
| Exact Mass | 234.025543 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 | 4gOnptBtmmM |
|---|---|
| Name | 2-Bromo-1,3-dicyclopropylpropane-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025542721 u |
| Formula | C9H15BrO2 |
| InChI | InChI=1S/C9H15BrO2/c10-7(8(11)5-1-2-5)9(12)6-3-4-6/h5-9,11-12H,1-4H2 |
| InChIKey | XGNFIWXGMCPSLX-UHFFFAOYSA-N |
| Molecular Weight | 235.121 g/mol |
| SMILES | C1C(C(C(Br)C(O)C2CC2)O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878115 |