| SpectraBase Compound ID | 3kjVNjMWMYY |
|---|---|
| InChI | InChI=1S/C10H12O4S/c11-9-7-15-8-10(12)14-6-4-2-1-3-5-13-9/h3-8H2 |
| InChIKey | ZZUFYDBLGXXYRW-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C10H12O4S |
| Exact Mass | 228.04563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 50KfFTg1h90 |
|---|---|
| Name | 1,7-Dioxa-4-thiacyclotridec-10-yne-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O4S |
| InChI | InChI=1S/C10H12O4S/c11-9-7-15-8-10(12)14-6-4-2-1-3-5-13-9/h3-8H2 |
| InChIKey | ZZUFYDBLGXXYRW-UHFFFAOYSA-N |
| Molecular Weight | 228.262 g/mol |
| SMILES | C1#CCCOC(=O)CSCC(OCC1)=O |
| SPLASH | splash10-004i-9330000000-552aa27d523b08f856ba |
| Source of Spectrum | QE-7-5310-24 |
| Wiley ID | 846265 |