| SpectraBase Compound ID | 9PU2iW0DJcN |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(21-2)20(17-18)22-3/h15-17H,4-10H2,1-3H3 |
| InChIKey | NZMRSAMKOIMTHF-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IznTTmjfJn4 |
|---|---|
| Name | 4-Dodeca-1,3-diynyl-1,2-dimethoxy-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(21-2)20(17-18)22-3/h15-17H,4-10H2,1-3H3 |
| InChIKey | NZMRSAMKOIMTHF-UHFFFAOYSA-N |
| SMILES | C(C#CCCCCCCCC)#CC=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910074 |