| SpectraBase Compound ID | KjXSsWaIeCp |
|---|---|
| InChI | InChI=1S/C9H13ClO4/c1-4(11)8(10)6-3-7(12)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1 |
| InChIKey | IIYOOZPJDRONSJ-UGSJSWHKSA-N |
| Mol Weight | 220.65 g/mol |
| Molecular Formula | C9H13ClO4 |
| Exact Mass | 220.050237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ezJXoml157 |
|---|---|
| Name | Chlorohydroaspyrone A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13ClO4 |
| InChI | InChI=1S/C9H13ClO4/c1-4(11)8(10)6-3-7(12)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1 |
| InChIKey | IIYOOZPJDRONSJ-UGSJSWHKSA-N |
| Molecular Weight | 220.652 g/mol |
| SMILES | O[C@@]1([C@](OC(C([C@@]([C@@](O)(C)[H])(Cl)[H])=C1)=O)(C)[H])[H] |
| SPLASH | splash10-00di-2900000000-133963a7129821ab14eb |
| Source of Spectrum | G4-71-1460-1 |
| Wiley ID | 1695075 |