| SpectraBase Compound ID | KgKdmRNdtwF |
|---|---|
| InChI | InChI=1S/C7H12O5/c8-1-4-2-12-3-5(9)7(11)6(4)10/h4,6-8,10-11H,1-3H2 |
| InChIKey | JYFGZQYOLIYNED-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C7H12O5 |
| Exact Mass | 176.068473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KnEL1dYCurq |
|---|---|
| Name | 4,5-DIHYDROXY-6-HYDROXYMETHYLOXEPAN-3-ONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O5 |
| InChI | InChI=1S/C7H12O5/c8-1-4-2-12-3-5(9)7(11)6(4)10/h4,6-8,10-11H,1-3H2 |
| InChIKey | JYFGZQYOLIYNED-UHFFFAOYSA-N |
| Molecular Weight | 176.0681 |
| SMILES | OCC1C(C(C(COC1)=O)O)O |
| SPLASH | splash10-06xx-9000000000-3631b82bf2eda0b8ddae |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |