| SpectraBase Spectrum ID |
GfOdEF1hMA8 |
| Name |
1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[propylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.303164879 u |
| Formula |
C23H39NO |
| InChI |
InChI=1S/C23H39NO/c1-8-15-24-16-11-12-17-25-21-14-13-19(22(4,5)9-2)18-20(21)23(6,7)10-3/h13-15,18H,8-12,16-17H2,1-7H3/b24-15+ |
| InChIKey |
ADDNSZFIPSVZEO-BUVRLJJBSA-N |
| Molecular Weight |
345.571 g/mol |
| SMILES |
CC\C=N\CCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961087 |