| SpectraBase Spectrum ID |
JZtvkCGGDMA |
| Name |
3,5-Difluoro-4-heptyloxy-2-propylthioaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.162491928 u |
| Formula |
C16H25F2NOS |
| InChI |
InChI=1S/C16H25F2NOS/c1-3-5-6-7-8-9-20-15-12(17)11-13(19)16(14(15)18)21-10-4-2/h11H,3-10,19H2,1-2H3 |
| InChIKey |
YNWMRWQVCMZVEX-UHFFFAOYSA-N |
| Molecular Weight |
317.439 g/mol |
| SMILES |
C=1(N)C(=C(C(=C(C1)F)OCCCCCCC)F)SCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868518 |
