| SpectraBase Compound ID | 1p8zRTDfH8o |
|---|---|
| InChI | InChI=1S/C18H20S2/c1-3-8-16(9-4-1)14-18(19-12-7-13-20-18)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | QKTGRHAGQYQUJE-UHFFFAOYSA-N |
| Mol Weight | 300.48 g/mol |
| Molecular Formula | C18H20S2 |
| Exact Mass | 300.100643 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LswOhgCz6GH |
|---|---|
| Name | 1,3-Dithiane, 2,2-dibenzyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.100642992 u |
| Formula | C18H20S2 |
| InChI | InChI=1S/C18H20S2/c1-3-8-16(9-4-1)14-18(19-12-7-13-20-18)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | QKTGRHAGQYQUJE-UHFFFAOYSA-N |
| SMILES | C1(SCCCS1)(CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927238 |