| SpectraBase Compound ID | IWThI9yUxUD |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-8-11-9-14-12(13)10(11)2/h3-9H2,1-2H3 |
| InChIKey | UDWRSXHCHSNSFR-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IC74ttfUwTJ |
|---|---|
| Name | Pestalolide |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-8-11-9-14-12(13)10(11)2/h3-9H2,1-2H3 |
| InChIKey | UDWRSXHCHSNSFR-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(C(=C(CCCCCCC)CO1)C)=O |
| SPLASH | splash10-014i-0900000000-00bc9bce8059d8751008 |
| Source of Spectrum | F-68-2305-9 |
| Wiley ID | 1707998 |