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3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
SpectraBase Compound ID 1xqgbzwdSvj
InChI InChI=1S/C25H40O4S2/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/h9-11,14-15,23-24H,4-8,12-13,16-20H2,1-3H3
InChIKey QBQMAXLNJYOTIQ-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C25H40O4S2
Exact Mass 468.236802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYrqTPgmi2b
Name 3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
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Formula C25H40O4S2
InChI InChI=1S/C25H40O4S2/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/h9-11,14-15,23-24H,4-8,12-13,16-20H2,1-3H3
InChIKey QBQMAXLNJYOTIQ-UHFFFAOYSA-N
Molecular Weight 468.711 g/mol
SMILES C(C(CC1(SCCCS1)C(CCCCCC)OCc1ccccc1)=O)(OCC)OCC
SPLASH splash10-0603-0000900000-288930689ceb6034ac92
Source of Spectrum H-95-2117-11c_Bn
Synonyms 3-(2-(1-(benzyloxy)heptyl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-one
Wiley ID 1784203