9,9-Difluoro-4-phenyl-4-azatricyclo[5.2.2.0(2,6)]undec-10-ene-3,5,8-trione

SpectraBase Compound ID	5vSDNePChmT
InChI	InChI=1S/C16H11F2NO3/c17-16(18)10-7-6-9(13(16)20)11-12(10)15(22)19(14(11)21)8-4-2-1-3-5-8/h1-7,9-12H/t9-,10+,11-,12+/m0/s1
InChIKey	RHTNLPCQJQUWEF-WHOHXGKFSA-N Google Search
Mol Weight	303.26 g/mol
Molecular Formula	C16H11F2NO3
Exact Mass	303.0707 g/mol

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SpectraBase Spectrum ID	J5aEDcuA5uA
Name	9,9-Difluoro-4-phenyl-4-azatricyclo[5.2.2.0(2,6)]undec-10-ene-3,5,8-trione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	303.070699541 u
Formula	C16H11F2NO3
InChI	InChI=1S/C16H11F2NO3/c17-16(18)10-7-6-9(13(16)20)11-12(10)15(22)19(14(11)21)8-4-2-1-3-5-8/h1-7,9-12H/t9-,10+,11-,12+/m0/s1
InChIKey	RHTNLPCQJQUWEF-WHOHXGKFSA-N
Molecular Weight	303.265 g/mol
SMILES	[C@@]12([C@]3(C=C[C@@]([C@@]2(C(=O)N(C1=O)C=1C=CC=CC1)[H])(C(C3(F)F)=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.884078