| SpectraBase Compound ID | Azj1jakShJ9 |
|---|---|
| InChI | InChI=1S/C11H18O4S/c1-10(12)7-5-6-8-16(13,14)15-9-11(2,3)4/h5-8H,9H2,1-4H3/b7-5-,8-6+ |
| InChIKey | KQDHGIOZSMERJT-CGXWXWIYSA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C11H18O4S |
| Exact Mass | 246.09258 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EGLHicY4XXN |
|---|---|
| Name | Neopentyl (1E,3Z)-5-oxohexa-1,3-diene-1-sulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18O4S |
| InChI | InChI=1S/C11H18O4S/c1-10(12)7-5-6-8-16(13,14)15-9-11(2,3)4/h5-8H,9H2,1-4H3/b7-5-,8-6+ |
| InChIKey | KQDHGIOZSMERJT-CGXWXWIYSA-N |
| Molecular Weight | 246.321 g/mol |
| SMILES | C(\C=C/C=C/S(=O)(=O)OCC(C)(C)C)(=O)C |
| SPLASH | splash10-0c01-9200000000-fc9070d693735cc1d4c1 |
| Source of Spectrum | F-65-7096-12b |
| Wiley ID | 1680367 |