(4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane

SpectraBase Compound ID	IVdSKxMnSCs
InChI	InChI=1S/C21H34O3/c1-16(2)19(22-15-18-10-7-6-8-11-18)12-9-13-20-17(3)14-23-21(4,5)24-20/h6-8,10-11,16-17,19-20H,9,12-15H2,1-5H3/t17-,19-,20+/m0/s1
InChIKey	DJGOPEVUMVGBLW-YSIASYRMSA-N Google Search
Mol Weight	334.5 g/mol
Molecular Formula	C21H34O3
Exact Mass	334.250795 g/mol

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SpectraBase Spectrum ID	7VWKQiTgJU1
Name	(4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34O3
InChI	InChI=1S/C21H34O3/c1-16(2)19(22-15-18-10-7-6-8-11-18)12-9-13-20-17(3)14-23-21(4,5)24-20/h6-8,10-11,16-17,19-20H,9,12-15H2,1-5H3/t17-,19-,20+/m0/s1
InChIKey	DJGOPEVUMVGBLW-YSIASYRMSA-N
Molecular Weight	334.500 g/mol
SMILES	C1(O[C@@]([C@](CO1)(C)[H])(CCC[C@](OCc1ccccc1)(C(C)C)[H])[H])(C)C
SPLASH	splash10-0006-9011000000-0853a7f38bda6d645244
Source of Spectrum	J-61-6345-14
Synonyms	(4R,5S)-4-[(4S)-4-benzoxy-5-methyl-hexyl]-2,2,5-trimethyl-1,3-dioxane (4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxyhexyl]-1,3-dioxane
Wiley ID	1331351