| SpectraBase Compound ID | AFrFSkXANAh |
|---|---|
| InChI | InChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3 |
| InChIKey | HFEJTRNCHBWDOQ-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C11H15NO2 |
| Exact Mass | 193.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80ePRZou7cv |
|---|---|
| Name | 4-Allyl-5-amino veratrole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.110278725 u |
| Formula | C11H15NO2 |
| InChI | InChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3 |
| InChIKey | HFEJTRNCHBWDOQ-UHFFFAOYSA-N |
| Molecular Weight | 193.246 g/mol |
| SMILES | C1=C(C(OC)=CC(=C1CC=C)N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95942 |