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3-{2-[1-(Benzyloxy)ethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
SpectraBase Compound ID 4wi4Suiq0Ez
InChI InChI=1S/C20H30O4S2/c1-4-22-19(23-5-2)18(21)14-20(25-12-9-13-26-20)16(3)24-15-17-10-7-6-8-11-17/h6-8,10-11,16,19H,4-5,9,12-15H2,1-3H3
InChIKey ZNNOSVMKKIKNMN-UHFFFAOYSA-N
Mol Weight 398.58 g/mol
Molecular Formula C20H30O4S2
Exact Mass 398.158552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAEzepEL2Sx
Name 3-{2-[1-(Benzyloxy)ethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
Alternate Name(s) 3-(2-(1-(benzyloxy)ethyl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4S2
InChI InChI=1S/C20H30O4S2/c1-4-22-19(23-5-2)18(21)14-20(25-12-9-13-26-20)16(3)24-15-17-10-7-6-8-11-17/h6-8,10-11,16,19H,4-5,9,12-15H2,1-3H3
InChIKey ZNNOSVMKKIKNMN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 398.576 g/mol
SMILES C(C(CC1(SCCCS1)C(C)OCc1ccccc1)=O)(OCC)OCC
SPLASH splash10-0udl-9710000000-b19ac5617e73a0722a48
Source of Spectrum H-95-2116-11b_Bn
Wiley ID 1784202