| SpectraBase Spectrum ID |
Am04iiqL13D |
| Name |
N-Heptyl-2,5-dimethylphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.229999938 u |
| Formula |
C17H29N |
| InChI |
InChI=1S/C17H29N/c1-4-5-6-7-8-12-18-13-11-17-14-15(2)9-10-16(17)3/h9-10,14,18H,4-8,11-13H2,1-3H3 |
| InChIKey |
CLENYWXPZBYKGQ-UHFFFAOYSA-N |
| Molecular Weight |
247.426 g/mol |
| SMILES |
C=1(C(=CC=C(C1)C)C)CCNCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964849 |
