| SpectraBase Spectrum ID |
4CTJpWvksQX |
| Name |
N,N-Diheptyl-2,5-dimethylphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.339550389 u |
| Formula |
C24H43N |
| InChI |
InChI=1S/C24H43N/c1-5-7-9-11-13-18-25(19-14-12-10-8-6-2)20-17-24-21-22(3)15-16-23(24)4/h15-16,21H,5-14,17-20H2,1-4H3 |
| InChIKey |
AVDMLRTWGGYPFX-UHFFFAOYSA-N |
| Molecular Weight |
345.615 g/mol |
| SMILES |
C=1(C(=CC=C(C1)C)C)CCN(CCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955499 |
