![Bicyclo[3.3.0]octan-3-one, 7-methylene-1,5-bis(carboxyethyl)-, cis-](/api/spectrum/ANMv9WCEhtc/structure.png?h=300&w=458 "Bicyclo[3.3.0]octan-3-one, 7-methylene-1,5-bis(carboxyethyl)-, cis-")
| SpectraBase Compound ID | ClK6UCIbjvd |
|---|---|
| InChI | InChI=1S/C9H12O.2C3H6O2/c1-6-2-7-4-9(10)5-8(7)3-6;2*1-2-5-3-4/h7-8H,1-5H2;2*3H,2H2,1H3 |
| InChIKey | YXVORDOMKHLRPJ-UHFFFAOYSA-N |
| Mol Weight | 284.35 g/mol |
| Molecular Formula | C15H24O5 |
| Exact Mass | 284.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANMv9WCEhtc |
|---|---|
| Name | Bicyclo[3.3.0]octan-3-one, 7-methylene-1,5-bis(carboxyethyl)-, cis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.162373868 u |
| Formula | C15H24O5 |
| InChI | InChI=1S/C9H12O.2C3H6O2/c1-6-2-7-4-9(10)5-8(7)3-6;2*1-2-5-3-4/h7-8H,1-5H2;2*3H,2H2,1H3 |
| InChIKey | YXVORDOMKHLRPJ-UHFFFAOYSA-N |
| Molecular Weight | 284.352 g/mol |
| Nominal Mass | 284 u |
| SMILES | C(=O)OCC.C1(=O)CC2C(C1)CC(C2)=C.C(=O)OCC |