| SpectraBase Compound ID | 5ewUtSC8qzb |
|---|---|
| InChI | InChI=1S/C10H13BrS/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | CYFJLXXVMAJKNN-UHFFFAOYSA-N |
| Mol Weight | 245.18 g/mol |
| Molecular Formula | C10H13BrS |
| Exact Mass | 243.992135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | tqEPBvt0CP |
|---|---|
| Name | N-Butyl-4-bromophenyl-sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.992134593 u |
| Formula | C10H13BrS |
| InChI | InChI=1S/C10H13BrS/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | CYFJLXXVMAJKNN-UHFFFAOYSA-N |
| Molecular Weight | 245.178 g/mol |
| SMILES | C=1(Br)C=CC(=CC1)SCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830518 |