| SpectraBase Spectrum ID |
GcARf5E9Yzi |
| Name |
Ethyl 6-(ethoxycarbonyl)-1,4-dithia-spirononane-7-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.095951532 u |
| Formula |
C14H22O4S2 |
| InChI |
InChI=1S/C14H22O4S2/c1-3-17-11(15)9-10-5-6-14(19-7-8-20-14)12(10)13(16)18-4-2/h10,12H,3-9H2,1-2H3 |
| InChIKey |
UJEZWTNMRIFGHX-UHFFFAOYSA-N |
| Molecular Weight |
318.446 g/mol |
| SMILES |
C1(C2(SCCS2)CCC1CC(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980336 |
