| SpectraBase Compound ID | 2CymWNZDLBG |
|---|---|
| InChI | InChI=1S/C9H16/c1-8-4-3-5-9(2)7-6-8/h9H,1,3-7H2,2H3 |
| InChIKey | VZERBYREQOJKQB-UHFFFAOYSA-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 | IlCmKtAvsvj |
|---|---|
| Name | Cycloheptane, 1-methyl-4-methylene- |
| 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/c1-8-4-3-5-9(2)7-6-8/h9H,1,3-7H2,2H3 |
| InChIKey | VZERBYREQOJKQB-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C1(C)CCC(=C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911699 |