| SpectraBase Compound ID | BVFSxkVXwGt |
|---|---|
| InChI | InChI=1S/C13H18/c1-3-12(2)8-7-11-13-9-5-4-6-10-13/h3-6,9-10H,7-8,11H2,1-2H3/b12-3+ |
| InChIKey | FIPZYZNFWXCPER-KGVSQERTSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ILRUjOWv5Hy |
|---|---|
| Name | Polysar |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-3-12(2)8-7-11-13-9-5-4-6-10-13/h3-6,9-10H,7-8,11H2,1-2H3/b12-3+ |
| InChIKey | FIPZYZNFWXCPER-KGVSQERTSA-N |
| Molecular Weight | 174.287 g/mol |
| Nominal Mass | 174 u |
| SMILES | C(\C(C)=C\C)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.99513 |