| SpectraBase Compound ID | 2FSupZzPekM |
|---|---|
| InChI | InChI=1S/C10H21Br/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-9H2,1-2H3 |
| InChIKey | IYNUQZCMERXSEQ-UHFFFAOYSA-N |
| Mol Weight | 221.18 g/mol |
| Molecular Formula | C10H21Br |
| Exact Mass | 220.082664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L8MFuRDjMb3 |
|---|---|
| Name | 3-Methyl-1-bromononane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.082663676 u |
| Formula | C10H21Br |
| InChI | InChI=1S/C10H21Br/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-9H2,1-2H3 |
| InChIKey | IYNUQZCMERXSEQ-UHFFFAOYSA-N |
| Molecular Weight | 221.182 g/mol |
| SMILES | C(CC(CCCCCC)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878984 |