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2-Nitroaniline, N-heptafluorobutyryl-

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

2-Nitroaniline, N-heptafluorobutyryl-
SpectraBase Compound ID FfAEvsIRhlW
InChI InChI=1S/C10H5F7N2O3/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-3-1-2-4-6(5)19(21)22/h1-4H,(H,18,20)
InChIKey QPHWRPQUQFDFFA-UHFFFAOYSA-N
Mol Weight 334.15 g/mol
Molecular Formula C10H5F7N2O3
Exact Mass 334.018839 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GR5Pgkx3jCr
Name 2-Nitroaniline, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.018839167 u
Formula C10H5F7N2O3
InChI InChI=1S/C10H5F7N2O3/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-3-1-2-4-6(5)19(21)22/h1-4H,(H,18,20)
InChIKey QPHWRPQUQFDFFA-UHFFFAOYSA-N
Molecular Weight 334.150 g/mol
SMILES C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896575