SpectraBase Compound ID | 4rwfjK6jePs |
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InChI | InChI=1S/C8H16O/c1-6-8(5,9)7(2,3)4/h6,9H,1H2,2-5H3 |
InChIKey | VHCAZBIUJQZQCZ-UHFFFAOYSA-N |
Mol Weight | 128.21 g/mol |
Molecular Formula | C8H16O |
Exact Mass | 128.120115 g/mol |
SpectraBase Spectrum ID | J6Fm4pHUxS0 |
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Name | 3,4,4-Trimethyl-1-penten-3-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.120115134 u |
Formula | C8H16O |
InChI | InChI=1S/C8H16O/c1-6-8(5,9)7(2,3)4/h6,9H,1H2,2-5H3 |
InChIKey | VHCAZBIUJQZQCZ-UHFFFAOYSA-N |
Molecular Weight | 128.215 g/mol |
SMILES | CC(C(C=C)(C)O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972255 |