| SpectraBase Compound ID | 4lG0VubnOMa |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3 |
| InChIKey | OXBMFCGRQJNAOY-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gcj7ViZdira |
|---|---|
| Name | Dimethyl cubane-1,4-dicarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3 |
| InChIKey | OXBMFCGRQJNAOY-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C12(C3C4C5(C(=O)OC)C(C14)C2C35)C(=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.777647 |