| SpectraBase Compound ID | 4Ub1GwsAp5B |
|---|---|
| InChI | InChI=1S/C10H18/c1-7-3-9-5-8(2)6-10(9)4-7/h7-10H,3-6H2,1-2H3 |
| InChIKey | SQRZZYQFRGXZID-UHFFFAOYSA-N |
| Mol Weight | 138.25 g/mol |
| Molecular Formula | C10H18 |
| Exact Mass | 138.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 51HieL0e131 |
|---|---|
| Name | Pentalene, octahydro-2,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.140850580 u |
| Formula | C10H18 |
| InChI | InChI=1S/C10H18/c1-7-3-9-5-8(2)6-10(9)4-7/h7-10H,3-6H2,1-2H3 |
| InChIKey | SQRZZYQFRGXZID-UHFFFAOYSA-N |
| Molecular Weight | 138.254 g/mol |
| SMILES | CC1CC2CC(CC2C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876578 |