| SpectraBase Compound ID | 8B1BET6V8LI |
|---|---|
| InChI | InChI=1S/C7H13BrS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3 |
| InChIKey | FITLFTIOZFPUOE-UHFFFAOYSA-N |
| Mol Weight | 209.14 g/mol |
| Molecular Formula | C7H13BrS |
| Exact Mass | 207.992135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9p6FN5saSK1 |
|---|---|
| Name | 1-Bromanyl-2-methylsulfanyl-cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.992134593 u |
| Formula | C7H13BrS |
| InChI | InChI=1S/C7H13BrS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3 |
| InChIKey | FITLFTIOZFPUOE-UHFFFAOYSA-N |
| Molecular Weight | 209.145 g/mol |
| SMILES | C1(C(Br)CCCC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935969 |