| SpectraBase Spectrum ID |
Lh7fDIizH9 |
| Name |
3,4-Dihydro-2H-quinoline-1-carbothioic acid S-(2,3,4,5,6-pentafluorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.040325934 u |
| Formula |
C16H10F5NOS |
| InChI |
InChI=1S/C16H10F5NOS/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)22-7-3-5-8-4-1-2-6-9(8)22/h1-2,4,6H,3,5,7H2 |
| InChIKey |
MHKWPHRENNIJKR-UHFFFAOYSA-N |
| Molecular Weight |
359.314 g/mol |
| SMILES |
C1N(C=2C=CC=CC2CC1)C(=O)SC=1C(=C(C(=C(C1F)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827484 |
