| SpectraBase Compound ID | 6CN03iOLnZ9 |
|---|---|
| InChI | InChI=1S/C11H22OS/c1-4-6-8-13-11(7-5-2)9-10(3)12/h11H,4-9H2,1-3H3 |
| InChIKey | XPAUDXFESAXXIV-UHFFFAOYSA-N |
| Mol Weight | 202.36 g/mol |
| Molecular Formula | C11H22OS |
| Exact Mass | 202.139137 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BDgZE2qaIoO |
|---|---|
| Name | 4-Butylsulfanyl-heptan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.139136501 u |
| Formula | C11H22OS |
| InChI | InChI=1S/C11H22OS/c1-4-6-8-13-11(7-5-2)9-10(3)12/h11H,4-9H2,1-3H3 |
| InChIKey | XPAUDXFESAXXIV-UHFFFAOYSA-N |
| Molecular Weight | 202.356 g/mol |
| SMILES | C(CC)C(SCCCC)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865038 |