| SpectraBase Spectrum ID |
5txQKKd9jqd |
| Name |
2F-mda 2pe |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.241707435 u |
| Formula |
C20H32FNO2 |
| InChI |
InChI=1S/C20H32FNO2/c1-4-6-8-12-22(13-9-7-5-2)16(3)14-17-10-11-18-20(19(17)21)24-15-23-18/h10-11,16H,4-9,12-15H2,1-3H3 |
| InChIKey |
HQTRAGFZIYZWPO-UHFFFAOYSA-N |
| Molecular Weight |
337.479 g/mol |
| SMILES |
C12=C(C(CC(N(CCCCC)CCCCC)C)=CC=C2OCO1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8641 |
