| SpectraBase Compound ID | HQi5Abp4rK7 |
|---|---|
| InChI | InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m0/s1 |
| InChIKey | FXSUTKNIHXGZFF-IUCAKERBSA-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 | 2m1acQyCARB |
|---|---|
| Name | Cyclohexane, 1-ethenyl-2-methyl-, trans- |
| 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/c1-3-9-7-5-4-6-8(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m0/s1 |
| InChIKey | FXSUTKNIHXGZFF-IUCAKERBSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C1C[C@@]([C@](CC1)(C)[H])(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935564 |