SpectraBase Compound ID | ESxeKDkAipk |
---|---|
InChI | InChI=1S/C11H16O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3 |
InChIKey | KLOUCDOOJZGJFJ-UHFFFAOYSA-N |
Mol Weight | 164.25 g/mol |
Molecular Formula | C11H16O |
Exact Mass | 164.120115 g/mol |
SpectraBase Spectrum ID | 9eiTYkfGKX0 |
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Name | 1-Phenylethanol, isopropyl ether |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.120115134 u |
Formula | C11H16O |
InChI | InChI=1S/C11H16O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3 |
InChIKey | KLOUCDOOJZGJFJ-UHFFFAOYSA-N |
Molecular Weight | 164.248 g/mol |
SMILES | C1=CC=CC=C1C(C)OC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815686 |