| SpectraBase Spectrum ID |
LeMIDfZblfv |
| Name |
Hexadecyl 4-nitro-A,A,A-trifluoro-m-tolyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.264728509 u |
| Formula |
C23H36F3NO3 |
| InChI |
InChI=1S/C23H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-20-16-17-22(27(28)29)21(19-20)23(24,25)26/h16-17,19H,2-15,18H2,1H3 |
| InChIKey |
ABLUJDWBVAMHQJ-UHFFFAOYSA-N |
| Molecular Weight |
431.540 g/mol |
| SMILES |
N(=O)(=O)C=1C(=CC(=CC1)OCCCCCCCCCCCCCCCC)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.720907 |
