| SpectraBase Compound ID | JJBrdfxf93p |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-3-12-9-8-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3 |
| InChIKey | XSGSTHQZHRLSHO-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
| SpectraBase Spectrum ID | JaUkvEzT4QW |
|---|---|
| Name | N-Ethyl-4-methoxyphenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-3-12-9-8-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3 |
| InChIKey | XSGSTHQZHRLSHO-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)CCNCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946674 |