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 |