| SpectraBase Spectrum ID |
7tnnMLgDkoA |
| Name |
Trans-cinnamamide, N,N-diundecyl-3-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.400099786 u |
| Formula |
C32H52F3NO |
| InChI |
InChI=1S/C32H52F3NO/c1-3-5-7-9-11-13-15-17-19-26-36(27-20-18-16-14-12-10-8-6-4-2)31(37)25-24-29-22-21-23-30(28-29)32(33,34)35/h21-25,28H,3-20,26-27H2,1-2H3/b25-24+ |
| InChIKey |
ZCVVTCJFCQUZGD-OCOZRVBESA-N |
| Molecular Weight |
523.769 g/mol |
| SMILES |
C1(=CC=CC(=C1)\C=C\C(N(CCCCCCCCCCC)CCCCCCCCCCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813465 |
