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(2R,5R,6R)-2-tert-butyl-5-(diphenylmethyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID AazSrT4Hq8T
InChI InChI=1S/C22H26O3/c1-15-18(20(23)25-21(24-15)22(2,3)4)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-19,21H,1-4H3/t15-,18+,21-/m1/s1
InChIKey VUWCKIJMEGDQES-FYINFDKHSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VTZx2Qbboa
Name (2R,5R,6R)-2-tert-butyl-5-(diphenylmethyl)-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5R,6R)-5-benzhydryl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-15-18(20(23)25-21(24-15)22(2,3)4)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-19,21H,1-4H3/t15-,18+,21-/m1/s1
InChIKey VUWCKIJMEGDQES-FYINFDKHSA-N
Molecular Weight 338.447 g/mol
SMILES C1([C@@]([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])(C(c1ccccc1)c1ccccc1)[H])=O
SPLASH splash10-066r-0980000000-cc1e5354ae2fd335c504
Source of Spectrum K-123-2424-29
Wiley ID 1334132