| SpectraBase Spectrum ID |
Kw5itJI1P7r |
| Name |
Ethyl 2-(1,3-dithian-2-yl)-3-oxopentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.069736785 u |
| Formula |
C11H18O3S2 |
| InChI |
InChI=1S/C11H18O3S2/c1-3-8(12)9(10(13)14-4-2)11-15-6-5-7-16-11/h9,11H,3-7H2,1-2H3 |
| InChIKey |
KIHBXONBOALCAP-UHFFFAOYSA-N |
| Molecular Weight |
262.382 g/mol |
| SMILES |
C(C1SCCCS1)(C(=O)OCC)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835228 |
