| SpectraBase Compound ID | BE1QttnrUtM |
|---|---|
| InChI | InChI=1S/C10H13Br/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3 |
| InChIKey | DSMRKVAAKZIVQL-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 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 | 863b1AoCiur |
|---|---|
| Name | 1-Bromanyl-2-tert-butyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.020063419 u |
| Formula | C10H13Br |
| InChI | InChI=1S/C10H13Br/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3 |
| InChIKey | DSMRKVAAKZIVQL-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C=1(C(C)(C)C)C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81939 |