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3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
SpectraBase Compound ID 2ALnenvhNjv
InChI InChI=1S/C24H36O4S2/c1-3-26-22(27-4-2)21(25)18-24(29-16-11-17-30-24)23(14-9-6-10-15-23)28-19-20-12-7-5-8-13-20/h5,7-8,12-13,22H,3-4,6,9-11,14-19H2,1-2H3
InChIKey VIWJVXVMIMQRSZ-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C24H36O4S2
Exact Mass 452.205502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As8HRRnDJVy
Name 3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O4S2
InChI InChI=1S/C24H36O4S2/c1-3-26-22(27-4-2)21(25)18-24(29-16-11-17-30-24)23(14-9-6-10-15-23)28-19-20-12-7-5-8-13-20/h5,7-8,12-13,22H,3-4,6,9-11,14-19H2,1-2H3
InChIKey VIWJVXVMIMQRSZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 452.668 g/mol
SMILES C(C(CC1(SCCCS1)C1(CCCCC1)OCc1ccccc1)=O)(OCC)OCC
SPLASH splash10-0f6x-9500000000-2f0b4859e0e5e8ac384d
Source of Spectrum H-95-2117-11f_Bn
Synonyms 3-(2-(1-(benzyloxy)cyclohexyl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-one
Wiley ID 1784205