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(2S,5S,1'S)-2-(tert-Butyl)-5-(1'-isopropyl-3'-oxobutyl)-5-phenyl-1,3-dioxolan-4-one
SpectraBase Compound ID 3hdzPokcxVn
InChI InChI=1S/C20H28O4/c1-13(2)16(12-14(3)21)20(15-10-8-7-9-11-15)17(22)23-18(24-20)19(4,5)6/h7-11,13,16,18H,12H2,1-6H3/t16-,18+,20+/m0/s1
InChIKey YKPGQXRBRGWCFS-ILZDJORESA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CMhSbja3Zf
Name (2S,5S,1'S)-2-(tert-Butyl)-5-(1'-isopropyl-3'-oxobutyl)-5-phenyl-1,3-dioxolan-4-one
Alternate Name(s) (2S,5S)-2-tert-butyl-5-[(1S)-1-isopropyl-3-oxobutyl]-5-phenyl-1,3-dioxolan-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(2)16(12-14(3)21)20(15-10-8-7-9-11-15)17(22)23-18(24-20)19(4,5)6/h7-11,13,16,18H,12H2,1-6H3/t16-,18+,20+/m0/s1
InChIKey YKPGQXRBRGWCFS-ILZDJORESA-N
Molecular Weight 332.440 g/mol
SMILES [C@@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)([C@@](CC(=O)C)(C(C)C)[H])c1ccccc1
SPLASH splash10-00di-0090000000-6a0ed7c88897d4d5121f
Source of Spectrum F-62-9178-4
Wiley ID 1640727