| SpectraBase Compound ID | J4KlJOPUQBy |
|---|---|
| InChI | InChI=1S/C7H12/c1-6-3-7(2,4-6)5-6/h3-5H2,1-2H3 |
| InChIKey | WZZWGDYIXKLNEQ-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
| SpectraBase Spectrum ID | 8prfgKw9qUQ |
|---|---|
| Name | Poly(bicyclo[1.1.1]pentane-1,3-diyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-6-3-7(2,4-6)5-6/h3-5H2,1-2H3 |
| InChIKey | WZZWGDYIXKLNEQ-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| Nominal Mass | 96 u |
| SMILES | C1C2(CC1(C)C2)C |
| Spectrum/Structure Validation Score (Raman) | 0.974813 |