| SpectraBase Compound ID | 7EDR3TK0MKG |
|---|---|
| InChI | InChI=1S/C16H16S2/c1-3-7-14(8-4-1)13-17-16(11-12-16)18-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | NSJHHQONDIDRNT-UHFFFAOYSA-N |
| Mol Weight | 272.42 g/mol |
| Molecular Formula | C16H16S2 |
| Exact Mass | 272.069343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LKfpdnzPv6f |
|---|---|
| Name | 1-(Benzylthio)-1-(phenylthio)cyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.069342863 u |
| Formula | C16H16S2 |
| InChI | InChI=1S/C16H16S2/c1-3-7-14(8-4-1)13-17-16(11-12-16)18-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | NSJHHQONDIDRNT-UHFFFAOYSA-N |
| SMILES | C1(CC1)(SC=1C=CC=CC1)SCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838525 |