SpectraBase Spectrum ID |
1KcljQ3TzN2 |
Name |
2,2-Dimethyl-N-[(1R)-1-phenylethyl]-1-propanamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
191.167399680 u |
Formula |
C13H21N |
InChI |
InChI=1S/C13H21N/c1-11(14-10-13(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3/t11-/m1/s1 |
InChIKey |
RTLKVZFVRDDGMK-LLVKDONJSA-N |
Molecular Weight |
191.318 g/mol |
SMILES |
[C@@](NCC(C)(C)C)(C1=CC=CC=C1)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921091 |