| SpectraBase Compound ID | 6pcCvi9W1Lt |
|---|---|
| InChI | InChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3 |
| InChIKey | WKCZSFRAGKIIKN-UHFFFAOYSA-N |
| Mol Weight | 177.29 g/mol |
| Molecular Formula | C12H19N |
| Exact Mass | 177.15175 g/mol |
| SpectraBase Spectrum ID | KLTeWJ1ACqX |
|---|---|
| Name | Phenethylamine, p-tert-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.151749616 u |
| Formula | C12H19N |
| InChI | InChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3 |
| InChIKey | WKCZSFRAGKIIKN-UHFFFAOYSA-N |
| Molecular Weight | 177.291 g/mol |
| SMILES | NCCC1=CC=C(C=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.988204 |