![Allyl-[1-(4-methoxyphenyl)ethyl]amine](/api/spectrum/APmVHRxzF7j/structure.png?h=300&w=458 "Allyl-[1-(4-methoxyphenyl)ethyl]amine")
| SpectraBase Compound ID | 14RTREPiKjm |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-4-9-13-10(2)11-5-7-12(14-3)8-6-11/h4-8,10,13H,1,9H2,2-3H3 |
| InChIKey | OYQCKGKVYUWEOW-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | APmVHRxzF7j |
|---|---|
| Name | Allyl-[1-(4-methoxyphenyl)ethyl]amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-4-9-13-10(2)11-5-7-12(14-3)8-6-11/h4-8,10,13H,1,9H2,2-3H3 |
| InChIKey | OYQCKGKVYUWEOW-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C=1(C=CC(=CC1)OC)C(NCC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925022 |