Debug Info

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JhH2Z8WIcJL
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JhH2Z8WIcJL
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Mass Spectrum (GC)
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(2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy-1'-(4-trifluoromethylphenyl)methyl]-5-phenyl-1,3-dioxolane-4-one

View entire compound with spectra: 2 MS (GC)

(2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy-1'-(4-trifluoromethylphenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
SpectraBase Compound ID 22vEvsCJpKU
InChI InChI=1S/C21H21F3O4/c1-19(2,3)18-27-17(26)20(28-18,14-7-5-4-6-8-14)16(25)13-9-11-15(12-10-13)21(22,23)24/h4-12,16,18,25H,1-3H3/t16-,18+,20+/m0/s1
InChIKey FVPJOEYZVLNDCD-ILZDJORESA-N
Mol Weight 394.39 g/mol
Molecular Formula C21H21F3O4
Exact Mass 394.139194 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhH2Z8WIcJL
Name (2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy-1'-(4-trifluoromethylphenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3O4
InChI InChI=1S/C21H21F3O4/c1-19(2,3)18-27-17(26)20(28-18,14-7-5-4-6-8-14)16(25)13-9-11-15(12-10-13)21(22,23)24/h4-12,16,18,25H,1-3H3/t16-,18+,20+/m0/s1
InChIKey FVPJOEYZVLNDCD-ILZDJORESA-N
Molecular Weight 394.390 g/mol
SMILES O[C@]([C@@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)c1ccccc1)(c1ccc(C(F)(F)F)cc1)[H]
SPLASH splash10-00di-6490000000-4752e2498163d5144a54
Source of Spectrum F-67-886-7gA
Wiley ID 1685531
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