| SpectraBase Compound ID | 7MQeRB94BfV |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7+ |
| InChIKey | GCZPADUEJDJXBH-VQHVLOKHSA-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 | KoNnvVV7kBE |
|---|---|
| Name | 1,3-Heptadiene, 2,3-dimethyl- |
| 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/c1-5-6-7-9(4)8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7+ |
| InChIKey | GCZPADUEJDJXBH-VQHVLOKHSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(\C(=C\CCC)C)(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951974 |