SpectraBase Spectrum ID |
KApDyyXpjZA |
Name |
Methiocarb, N-heptafluorobutyryl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
421.058261627 u |
Formula |
C15H14F7NO3S |
InChI |
InChI=1S/C15H14F7NO3S/c1-7-5-9(6-8(2)10(7)27-4)26-12(25)23(3)11(24)13(16,17)14(18,19)15(20,21)22/h5-6H,1-4H3 |
InChIKey |
BSAJWOIKHIPDNR-UHFFFAOYSA-N |
Molecular Weight |
421.330 g/mol |
SMILES |
C1(=CC(=CC(=C1SC)C)OC(=O)N(C)C(C(F)(C(C(F)(F)F)(F)F)F)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881565 |