| SpectraBase Compound ID | 2QTuU9iPYtm |
|---|---|
| InChI | InChI=1S/C7H13Br/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3 |
| InChIKey | LXYGBCXUPQXFKM-UHFFFAOYSA-N |
| Mol Weight | 177.08 g/mol |
| Molecular Formula | C7H13Br |
| Exact Mass | 176.020063 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 | 5geMukrJ2su |
|---|---|
| Name | 3-(Bromomethyl)-1,1-dimethyl-cyclobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.020063419 u |
| Formula | C7H13Br |
| InChI | InChI=1S/C7H13Br/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3 |
| InChIKey | LXYGBCXUPQXFKM-UHFFFAOYSA-N |
| Molecular Weight | 177.085 g/mol |
| SMILES | C1(CC(C1)CBr)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863813 |