(2R,4R,5R)-4-[(1S)-2,2-bis(ethylsulfanyl)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol

SpectraBase Compound ID	9L1idCygBoB
InChI	InChI=1S/C16H24O4S2/c1-3-21-16(22-4-2)13(18)14-12(17)10-19-15(20-14)11-8-6-5-7-9-11/h5-9,12-18H,3-4,10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKey	ZFFHLWUTLSNSIK-LXTVHRRPSA-N Google Search
Mol Weight	344.48 g/mol
Molecular Formula	C16H24O4S2
Exact Mass	344.111602 g/mol

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SpectraBase Spectrum ID	HUREvth1iFt
Name	(2R,4R,5R)-4-[(1S)-2,2-bis(Ethylsulfanyl)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.111601597 u
Formula	C16H24O4S2
InChI	InChI=1S/C16H24O4S2/c1-3-21-16(22-4-2)13(18)14-12(17)10-19-15(20-14)11-8-6-5-7-9-11/h5-9,12-18H,3-4,10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKey	ZFFHLWUTLSNSIK-LXTVHRRPSA-N
Molecular Weight	344.484 g/mol
SMILES	[C@@]1(O[C@](C=2C=CC=CC2)(OC[C@]1(O)[H])[H])([C@@](C(SCC)SCC)(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.91871