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3-(4-Fluorophenyl)-1',3',6,6-tetramethyl-3,5,6,7-tetrahydro-2'H,4H-spiro-[benzo-furan-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone

View entire compound with spectra: 1 MS (GC)

3-(4-Fluorophenyl)-1',3',6,6-tetramethyl-3,5,6,7-tetrahydro-2'H,4H-spiro-[benzo-furan-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone
SpectraBase Compound ID IUkYwCkG5ye
InChI InChI=1S/C21H21FN2O5/c1-20(2)9-13(25)15-14(10-20)29-21(16(15)11-5-7-12(22)8-6-11)17(26)23(3)19(28)24(4)18(21)27/h5-8,16H,9-10H2,1-4H3
InChIKey NROQDGHJDVPSME-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C21H21FN2O5
Exact Mass 400.14345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID n7h1WOURqZ
Name 3-(4-Fluorophenyl)-1',3',6,6-tetramethyl-3,5,6,7-tetrahydro-2'H,4H-spiro-[benzo-furan-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21FN2O5
InChI InChI=1S/C21H21FN2O5/c1-20(2)9-13(25)15-14(10-20)29-21(16(15)11-5-7-12(22)8-6-11)17(26)23(3)19(28)24(4)18(21)27/h5-8,16H,9-10H2,1-4H3
InChIKey NROQDGHJDVPSME-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4274
Molecular Weight 400.406 g/mol
SMILES C1C(C2=C(CC1(C)C)OC1(C2c2ccc(cc2)F)C(N(C(N(C1=O)C)=O)C)=O)=O
SPLASH splash10-0f79-3390500000-ab8c4c894b887a2fe29e
Source of Spectrum Y-58-1493-3j
Wiley ID 1879405