| SpectraBase Compound ID | HcDvBFTWl21 |
|---|---|
| InChI | InChI=1S/C12H14O3S2/c1-13-10-8(12-16-5-2-6-17-12)3-4-9-11(10)15-7-14-9/h3-4,12H,2,5-7H2,1H3 |
| InChIKey | SHOQCKPGWVFBMN-UHFFFAOYSA-N |
| Mol Weight | 270.36 g/mol |
| Molecular Formula | C12H14O3S2 |
| Exact Mass | 270.038437 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DawwkSwslWI |
|---|---|
| Name | 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.038436656 u |
| Formula | C12H14O3S2 |
| InChI | InChI=1S/C12H14O3S2/c1-13-10-8(12-16-5-2-6-17-12)3-4-9-11(10)15-7-14-9/h3-4,12H,2,5-7H2,1H3 |
| InChIKey | SHOQCKPGWVFBMN-UHFFFAOYSA-N |
| SMILES | C=1(C(=C2OCOC2=CC1)OC)C1SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955607 |