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(4S,6S)-4-(tert-Butylbenzyl)-6-ethyl-2,2,4,6-tetramethyl-1,3-dioxan-5-one
SpectraBase Compound ID AM7I4BdB5EY
InChI InChI=1S/C21H32O3/c1-9-20(7)17(22)21(8,24-19(5,6)23-20)16(18(2,3)4)15-13-11-10-12-14-15/h10-14,16H,9H2,1-8H3/t16?,20-,21-/m0/s1
InChIKey UABPYGXACPWTFL-ZMAUEPLISA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvRSnE6v2MQ
Name (4S,6S)-4-(tert-Butylbenzyl)-6-ethyl-2,2,4,6-tetramethyl-1,3-dioxan-5-one
Alternate Name(s) 1,5-Dideoxy-2-C-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-C-ethyl-2,4-O-(1-methylethylidene)-D-threo-pent-3-ulose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-9-20(7)17(22)21(8,24-19(5,6)23-20)16(18(2,3)4)15-13-11-10-12-14-15/h10-14,16H,9H2,1-8H3/t16?,20-,21-/m0/s1
InChIKey UABPYGXACPWTFL-ZMAUEPLISA-N
Molecular Weight 332.484 g/mol
SMILES [C@]1(C([C@@](CC)(C)OC(O1)(C)C)=O)(C(C(C)(C)C)c1ccccc1)C
SPLASH splash10-004i-3900000000-445a8c841af5bea2efcd
Source of Spectrum F4-0-3526-5
Wiley ID 1619192