| SpectraBase Compound ID | 3nsmZp27OAP |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-7H,1-3H3 |
| InChIKey | AVUXYFVRSWOVHP-UHFFFAOYSA-N |
| Mol Weight | 241.13 g/mol |
| Molecular Formula | C11H13BrO |
| Exact Mass | 240.014978 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 | 8YpzMLcbPWq |
|---|---|
| Name | 3-Bromanyl-4-tert-butyl-benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.014978038 u |
| Formula | C11H13BrO |
| InChI | InChI=1S/C11H13BrO/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-7H,1-3H3 |
| InChIKey | AVUXYFVRSWOVHP-UHFFFAOYSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C=1(C(=CC(=CC1)C=O)Br)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96253 |