| SpectraBase Compound ID | IKhl82HZSBf |
|---|---|
| InChI | InChI=1S/C12H18O6/c1-7(13)17-9-3-5-16-12-10(18-8(2)14)4-6-15-11(9)12/h9-12H,3-6H2,1-2H3 |
| InChIKey | XVHLZEQKQQKOMM-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C12H18O6 |
| Exact Mass | 258.110338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CJ2ZndLHo4h |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H16O6 |
| InChI | InChI=1S/C12H18O6/c1-7(13)17-9-3-5-16-12-10(18-8(2)14)4-6-15-11(9)12/h9-12H,3-6H2,1-2H3 |
| InChIKey | XVHLZEQKQQKOMM-UHFFFAOYSA-N |
| Molecular Weight | 258.1098 |
| SMILES | C12OCCC(OC(=O)C)C1OCCC2OC(=O)C |
| SPLASH | splash10-000x-9300000000-28cd92a1f4ea41c80c18 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |