| SpectraBase Compound ID | 727Z7FDVDZW |
|---|---|
| InChI | InChI=1S/C7H14S/c1-3-7-6(2)4-5-8-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | XNZCGHZDGZDSBU-RNFRBKRXSA-N |
| Mol Weight | 130.25 g/mol |
| Molecular Formula | C7H14S |
| Exact Mass | 130.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Awdofj3vPz |
|---|---|
| Name | cis-2-Ethyl-3-methylthiophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.081621625 u |
| Formula | C7H14S |
| InChI | InChI=1S/C7H14S/c1-3-7-6(2)4-5-8-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | XNZCGHZDGZDSBU-RNFRBKRXSA-N |
| Molecular Weight | 130.249 g/mol |
| SMILES | C1S[C@@]([C@@](C1)(C)[H])(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953005 |