3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol

SpectraBase Compound ID	JY3MDimMeS3
InChI	InChI=1S/C25H42O4S2/c1-4-7-8-12-16-23(29-20-21-14-10-9-11-15-21)25(30-17-13-18-31-25)19-22(26)24(27-5-2)28-6-3/h9-11,14-15,22-24,26H,4-8,12-13,16-20H2,1-3H3
InChIKey	IZEDOUGBWLFECV-UHFFFAOYSA-N Google Search
Mol Weight	470.7 g/mol
Molecular Formula	C25H42O4S2
Exact Mass	470.252452 g/mol

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SpectraBase Spectrum ID	GGqztHdaswg
Name	3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42O4S2
InChI	InChI=1S/C25H42O4S2/c1-4-7-8-12-16-23(29-20-21-14-10-9-11-15-21)25(30-17-13-18-31-25)19-22(26)24(27-5-2)28-6-3/h9-11,14-15,22-24,26H,4-8,12-13,16-20H2,1-3H3
InChIKey	IZEDOUGBWLFECV-UHFFFAOYSA-N
Literature Reference DOI	10.1002/hlca.201200423
Molecular Weight	470.727 g/mol
SMILES	OC(C(OCC)OCC)CC1(SCCCS1)C(CCCCCC)OCc1ccccc1
SPLASH	splash10-0pxu-9730000000-8404fbb5d0eb9a93397a
Source of Spectrum	H-95-2118-15c_Bn_II
Synonyms	3-(2-(1-(benzyloxy)heptyl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-ol
Wiley ID	1784211