| SpectraBase Compound ID | FR6Cnmi86lC |
|---|---|
| InChI | InChI=1S/C9H12O5/c1-7(10)13-5-3-4-9(12)6-14-8(2)11/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | SNBMIMRGBJEGKG-ONEGZZNKSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C9H12O5 |
| Exact Mass | 200.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ppIKXdP9fL |
|---|---|
| Name | E-1,5-Diacetoxypent-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.068473481 u |
| Formula | C9H12O5 |
| InChI | InChI=1S/C9H12O5/c1-7(10)13-5-3-4-9(12)6-14-8(2)11/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | SNBMIMRGBJEGKG-ONEGZZNKSA-N |
| Molecular Weight | 200.190 g/mol |
| SMILES | C(=O)(OCC(\C=C\COC(=O)C)=O)C |