| SpectraBase Compound ID | CeqyKokwR06 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | NSSBMHJAFSJCBM-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AjGJL1oe8Xc |
|---|---|
| Name | Benzene, (1,2-dimethylpropoxy)- |
| 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)10(3)12-11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | NSSBMHJAFSJCBM-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C(OC1=CC=CC=C1)(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934818 |