SpectraBase Compound ID | GtKYONh8pe1 |
---|---|
InChI | InChI=1S/C7H16O2/c1-6(2)7(8)4-5-9-3/h6-8H,4-5H2,1-3H3 |
InChIKey | DKPHCKMCUOOYCS-UHFFFAOYSA-N |
Mol Weight | 132.2 g/mol |
Molecular Formula | C7H16O2 |
Exact Mass | 132.11503 g/mol |
SpectraBase Spectrum ID | CyKtYl0vgtv |
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Name | 1-Methoxy-4-methylpentan-3-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 132.115029753 u |
Formula | C7H16O2 |
InChI | InChI=1S/C7H16O2/c1-6(2)7(8)4-5-9-3/h6-8H,4-5H2,1-3H3 |
InChIKey | DKPHCKMCUOOYCS-UHFFFAOYSA-N |
Molecular Weight | 132.203 g/mol |
SMILES | C(CC(C(C)C)O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919633 |