| SpectraBase Compound ID | KvmxB10aEGa |
|---|---|
| InChI | InChI=1S/C13H14O4S/c1-10-2-5-12(6-3-10)18(15,16)9-11-4-7-13(14)17-8-11/h2-6H,7-9H2,1H3 |
| InChIKey | PBDDVRSEOVOVSS-UHFFFAOYSA-N |
| Mol Weight | 266.31 g/mol |
| Molecular Formula | C13H14O4S |
| Exact Mass | 266.06128 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8lm9WbBT0xD |
|---|---|
| Name | 4-(Tosylmethyl)-3-penteno-5-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O4S |
| InChI | InChI=1S/C13H14O4S/c1-10-2-5-12(6-3-10)18(15,16)9-11-4-7-13(14)17-8-11/h2-6H,7-9H2,1H3 |
| InChIKey | PBDDVRSEOVOVSS-UHFFFAOYSA-N |
| Molecular Weight | 266.311 g/mol |
| SMILES | C(S(c1ccc(cc1)C)(=O)=O)C1=CCC(OC1)=O |
| SPLASH | splash10-03dl-9500000000-93c51c2cc1ec7d62b643 |
| Source of Spectrum | F-50-6615-13 |
| Wiley ID | 1269671 |