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Methiocarb, N-heptafluorobutyryl-
SpectraBase Compound ID 13OFZGWikEz
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
Mol Weight 421.33 g/mol
Molecular Formula C15H14F7NO3S
Exact Mass 421.058262 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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