11,12-Difluoro-4-phenyl-9-oxa-4-azatetracyclo[5.3.2.0(2,6).0(8,10)]dodec-11-ene-3,5-dione

SpectraBase Compound ID	KKW54KKJSwK
InChI	InChI=1S/C16H11F2NO3/c17-11-9-7-8(10(12(11)18)14-13(9)22-14)16(21)19(15(7)20)6-4-2-1-3-5-6/h1-5,7-10,13-14H/t7-,8-,9-,10+,13+,14-/m1/s1
InChIKey	LOIIXAIGFDCHTF-WCIARKNSSA-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	5IzK5m8NzKe
Name	11,12-Difluoro-4-phenyl-9-oxa-4-azatetracyclo[5.3.2.0(2,6).0(8,10)]dodec-11-ene-3,5-dione
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/c17-11-9-7-8(10(12(11)18)14-13(9)22-14)16(21)19(15(7)20)6-4-2-1-3-5-6/h1-5,7-10,13-14H/t7-,8-,9-,10+,13+,14-/m1/s1
InChIKey	LOIIXAIGFDCHTF-WCIARKNSSA-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@]1([C@@]3(O1)[H])[H])[H])F)F)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.93971