SpectraBase Compound ID | Ct8IlxjGbrW |
---|---|
InChI | InChI=1S/C11H20/c1-6-8-11(4,5)9-7-10(2)3/h6-7,9-10H,1,8H2,2-5H3/b9-7+ |
InChIKey | FUTMTVKMJFAWFD-VQHVLOKHSA-N |
Mol Weight | 152.28 g/mol |
Molecular Formula | C11H20 |
Exact Mass | 152.156501 g/mol |
SpectraBase Spectrum ID | KHkLyLf1ZP3 |
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Name | (5E)-4,4,7-Trimethylocta-diene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.156500644 u |
Formula | C11H20 |
InChI | InChI=1S/C11H20/c1-6-8-11(4,5)9-7-10(2)3/h6-7,9-10H,1,8H2,2-5H3/b9-7+ |
InChIKey | FUTMTVKMJFAWFD-VQHVLOKHSA-N |
Molecular Weight | 152.281 g/mol |
SMILES | C(\C=C\C(CC=C)(C)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934502 |