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Isoprocarb N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Isoprocarb N-heptafluorobutyryl-
SpectraBase Compound ID A5MrFnNsEEo
InChI InChI=1S/C15H14F7NO3/c1-8(2)9-6-4-5-7-10(9)26-12(25)23(3)11(24)13(16,17)14(18,19)15(20,21)22/h4-8H,1-3H3
InChIKey OTRGIKXGHHYWCX-UHFFFAOYSA-N
Mol Weight 389.27 g/mol
Molecular Formula C15H14F7NO3
Exact Mass 389.08619 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HERUK1UIktq
Name Isoprocarb N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.086190453 u
Formula C15H14F7NO3
InChI InChI=1S/C15H14F7NO3/c1-8(2)9-6-4-5-7-10(9)26-12(25)23(3)11(24)13(16,17)14(18,19)15(20,21)22/h4-8H,1-3H3
InChIKey OTRGIKXGHHYWCX-UHFFFAOYSA-N
Molecular Weight 389.270 g/mol
SMILES C1=CC=CC(=C1C(C)C)OC(=O)N(C(=O)C(C(F)(C(F)(F)F)F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867161