| SpectraBase Compound ID | L9ntBr94tPz |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10(2)7-8-11-5-4-6-12(9-11)13-3/h4-6,9H,1,7-8H2,2-3H3 |
| InChIKey | IEFVXKWQROXFHN-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LSnPxc53w3q |
|---|---|
| Name | Benzene, 1-methoxy-3-(3-methyl-3-butenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10(2)7-8-11-5-4-6-12(9-11)13-3/h4-6,9H,1,7-8H2,2-3H3 |
| InChIKey | IEFVXKWQROXFHN-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1=C(C=C(C=C1)OC)CCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943878 |