| SpectraBase Compound ID | HCC2rwQmzQ3 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-5-12-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3 |
| InChIKey | IMROBRBBGNTTLZ-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 | Jy6V0baqjd1 |
|---|---|
| Name | Benzene, 1,3-dimethyl-5-propoxy- |
| 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/c1-4-5-12-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3 |
| InChIKey | IMROBRBBGNTTLZ-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825499 |