| SpectraBase Compound ID | 4aqhTN0L15R |
|---|---|
| InChI | InChI=1S/C10H13Br/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | RHGAFWACIZXDNF-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18l6BtLSEpL |
|---|---|
| Name | (1-Bromo-2-methylpropyl)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/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | RHGAFWACIZXDNF-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C(C1=CC=CC=C1)(Br)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941516 |