| SpectraBase Spectrum ID |
JUsYp452zb9 |
| Name |
3,4,5-tri(Dodecyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
597.621251548 u |
| Formula |
C42H79N |
| InChI |
InChI=1S/C42H79N/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-41(43)38-40(35-32-29-26-23-20-17-14-11-8-5-2)42(39)36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36,43H2,1-3H3 |
| InChIKey |
GURQTFKCDBJBOV-UHFFFAOYSA-N |
| Molecular Weight |
598.101 g/mol |
| SMILES |
C=1(C(=CC(=CC1CCCCCCCCCCCC)N)CCCCCCCCCCCC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92148 |
