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(2R,5R,6R)-2-tert-butyl-6-methyl-5-[(1S)-1-phenylheptyl]-1,3-dioxan-4-one
SpectraBase Compound ID 6aYeLkF9xi7
InChI InChI=1S/C22H34O3/c1-6-7-8-12-15-18(17-13-10-9-11-14-17)19-16(2)24-21(22(3,4)5)25-20(19)23/h9-11,13-14,16,18-19,21H,6-8,12,15H2,1-5H3/t16-,18-,19+,21-/m1/s1
InChIKey ZFAZAHHHMWSVEY-RDPOXOKHSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAewttgI5kp
Name (2R,5R,6R)-2-tert-butyl-6-methyl-5-[(1S)-1-phenylheptyl]-1,3-dioxan-4-one
CAS Registry Number 129287-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-6-7-8-12-15-18(17-13-10-9-11-14-17)19-16(2)24-21(22(3,4)5)25-20(19)23/h9-11,13-14,16,18-19,21H,6-8,12,15H2,1-5H3/t16-,18-,19+,21-/m1/s1
InChIKey ZFAZAHHHMWSVEY-RDPOXOKHSA-N
Molecular Weight 346.511 g/mol
SMILES C1([C@@]([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])([C@@](c1ccccc1)(CCCCCC)[H])[H])=O
SPLASH splash10-000x-9840000000-b375a755b6b282d30009
Source of Spectrum K-123-2423-28
Wiley ID 1339639