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3-Chloro-o-toluidine, N-heptafluorobutyryl-

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

3-Chloro-o-toluidine, N-heptafluorobutyryl-
SpectraBase Compound ID 2jCM8FIDEtF
InChI InChI=1S/C11H7ClF7NO/c1-5-6(12)3-2-4-7(5)20-8(21)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3,(H,20,21)
InChIKey RMIGUGYDXPSKRP-UHFFFAOYSA-N
Mol Weight 337.62 g/mol
Molecular Formula C11H7ClF7NO
Exact Mass 337.010439 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3TnDWNvttqg
Name 3-Chloro-o-toluidine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.010438689 u
Formula C11H7ClF7NO
InChI InChI=1S/C11H7ClF7NO/c1-5-6(12)3-2-4-7(5)20-8(21)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3,(H,20,21)
InChIKey RMIGUGYDXPSKRP-UHFFFAOYSA-N
Molecular Weight 337.625 g/mol
SMILES C1(=C(C)C(=CC=C1)Cl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920302