| SpectraBase Compound ID | EprmINmAxOI |
|---|---|
| InChI | InChI=1S/C9H16/c1-6-7(2)9(4,5)8(6)3/h7H,1-5H3/t7-/m1/s1 |
| InChIKey | QLFOEPTUOSEOBH-SSDOTTSWSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IEODUt9ntry |
|---|---|
| Name | 1,2,3,4,4-Pentamethylcyclobutene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-6-7(2)9(4,5)8(6)3/h7H,1-5H3/t7-/m1/s1 |
| InChIKey | QLFOEPTUOSEOBH-SSDOTTSWSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C1(=C(C)[C@](C1(C)C)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917305 |