| SpectraBase Compound ID | La4jo418ran |
|---|---|
| InChI | InChI=1S/C13H16O/c1-4-6-12-10-11(3)7-8-13(12)14-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3 |
| InChIKey | AJDYVOMUNGEHRT-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 445myUJXd86 |
|---|---|
| Name | 3-Allyl-4-allyloxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-4-6-12-10-11(3)7-8-13(12)14-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3 |
| InChIKey | AJDYVOMUNGEHRT-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C=1(C=C(C(=CC1)OCC=C)CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964066 |