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N-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLIDINO)METHYL]-4-NITROPHTHALIMIDE

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

N-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLIDINO)METHYL]-4-NITROPHTHALIMIDE
SpectraBase Compound ID HLaY6fPrmp3
InChI InChI=1S/C17H9F6N3O4/c18-16(19,20)8-3-9(17(21,22)23)5-10(4-8)24-7-25-14(27)12-2-1-11(26(29)30)6-13(12)15(25)28/h1-6,24H,7H2
InChIKey LXOMUZXSJSKSGN-UHFFFAOYSA-N
Mol Weight 433.27 g/mol
Molecular Formula C17H9F6N3O4
Exact Mass 433.049725 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IbdnWO6VQhe
Name N-[(A,A,A,A',A',A'-Hexafluoro-3,5-xylidino)methyl]-4-nitrophthalimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.049724756 u
Formula C17H9F6N3O4
InChI InChI=1S/C17H9F6N3O4/c18-16(19,20)8-3-9(17(21,22)23)5-10(4-8)24-7-25-14(27)12-2-1-11(26(29)30)6-13(12)15(25)28/h1-6,24H,7H2
InChIKey LXOMUZXSJSKSGN-UHFFFAOYSA-N
Molecular Weight 433.266 g/mol
SMILES N(CN1C(C2=C(C=C(C=C2)N(=O)=O)C1=O)=O)C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F
Spectrum/Structure Validation Score (Raman) 0.878535