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(2R)-2-TERT.-BUTYL-6-METHYL-5-(PARA-TRIFLUOROMETHYLBENZYL)-4H-1,3-DIOXIN-4-ONE
SpectraBase Compound ID FBB1IlfX2Yq
InChI InChI=1S/C17H19F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-8,15H,9H2,1-4H3/t15-/m1/s1
InChIKey YIQPTYDUJQGMSU-OAHLLOKOSA-N
Mol Weight 328.33 g/mol
Molecular Formula C17H19F3O3
Exact Mass 328.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TZr5pP0mgF
Name (2R)-2-tert-Butyl-6-methyl-5-(p-trifluoromethylbenzyl)-4H-1,3-dioxin-4-one
CAS Registry Number 128973-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19F3O3
InChI InChI=1S/C17H19F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-8,15H,9H2,1-4H3/t15-/m1/s1
InChIKey YIQPTYDUJQGMSU-OAHLLOKOSA-N
Molecular Weight 328.331 g/mol
SMILES C=1(C(O[C@@](OC1C)(C(C)(C)C)[H])=O)Cc1ccc(C(F)(F)F)cc1
SPLASH splash10-0006-9831000000-4fb023922dce708d29fe
Source of Spectrum K-123-2435-6
Synonyms (2R)-2-tert-butyl-6-methyl-5-[4-(trifluoromethyl)benzyl]-4H-1,3-dioxin-4-one
Wiley ID 1326120