SpectraBase Compound ID | 7ZlaeU3Vqu |
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InChI | InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+ |
InChIKey | WGAUMWNVHAMGJF-AGPUZOHGSA-N |
Mol Weight | 136.24 g/mol |
Molecular Formula | C10H16 |
Exact Mass | 136.125201 g/mol |
SpectraBase Spectrum ID | 3uyTcZFVKr0 |
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Name | 2,4,6-Octatriene, 3,4-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 136.125200515 u |
Formula | C10H16 |
InChI | InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+ |
InChIKey | WGAUMWNVHAMGJF-AGPUZOHGSA-N |
Molecular Weight | 136.238 g/mol |
SMILES | C\C=C\C=C\(\C(=C\C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965687 |