| SpectraBase Compound ID | J6UMyeLiOyo |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-4-5-9-8(6-12)10(14-3)7(2)11(13)15-9/h4-6H,1-3H3/b5-4+ |
| InChIKey | WRUSPRWTCGCGGF-SNAWJCMRSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoaeXAGlDNB |
|---|---|
| Name | Cladobotrin ii |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-4-5-9-8(6-12)10(14-3)7(2)11(13)15-9/h4-6H,1-3H3/b5-4+ |
| InChIKey | WRUSPRWTCGCGGF-SNAWJCMRSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C=1(C(=C(C)C(OC1\C=C\C)=O)OC)C=O |