| SpectraBase Spectrum ID |
8jpIhvqlqYI |
| Name |
Benzeneacetonitrile, alpha-(3-aminopropyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.171020434 u |
| Formula |
C17H27ClN2O3 |
| InChI |
InChI=1S/C17H26N2O3.ClH/c1-12(2)17(11-19,7-6-8-18)13-9-14(20-3)16(22-5)15(10-13)21-4;/h9-10,12H,6-8,18H2,1-5H3;1H |
| InChIKey |
IOPPBOXCIHHOJI-UHFFFAOYSA-N |
| Molecular Weight |
342.867 g/mol |
| SMILES |
[NH3+]CCCC(C1=CC(=C(C(=C1)OC)OC)OC)(C(C)C)C#N.[Cl-] |
| Spectrum/Structure Validation Score (Raman) |
0.942697 |
