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(5R,6S)-5-Benzoyloxy-6-(benzoyloxymethyl)-2-(1,3-dithian -2-ylidene)octane
SpectraBase Compound ID 47Tif8MDxLL
InChI InChI=1S/C27H32O4S2/c1-3-21(19-30-25(28)22-11-6-4-7-12-22)24(31-26(29)23-13-8-5-9-14-23)16-15-20(2)27-32-17-10-18-33-27/h4-9,11-14,21,24H,3,10,15-19H2,1-2H3/t21-,24+/m0/s1
InChIKey LLXADNWVILUWJJ-XUZZJYLKSA-N
Mol Weight 484.7 g/mol
Molecular Formula C27H32O4S2
Exact Mass 484.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnCIQolIGlB
Name (5R,6S)-5-Benzoyloxy-6-(benzoyloxymethyl)-2-(1,3-dithian -2-ylidene)octane
Alternate Name(s) (1R)-1-{(1S)-1-[(benzoyloxy)methyl]propyl}-4-(1,3-dithian-2-ylidene)pentyl benzoate (5R,6S)-5-Benzoyloxy-6-(benzoyloxymethyl)-2-(1,3-dithia -2-ylidene)octane benzoic acid[(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethyl-heptyl]ester [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethyl-heptyl]benzoate [(2S,3R)-6-(1,3-dithian-2-ylidene)-2-ethyl-3-(phenylcarbonyloxy)heptyl]benzoate benzoic acid [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethylheptyl] ester [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethylheptyl] benzoate [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethyl-heptyl] benzoate [(2S,3R)-6-(1,3-dithian-2-ylidene)-2-ethyl-3-(phenylcarbonyloxy)heptyl] benzoate
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Formula C27H32O4S2
InChI InChI=1S/C27H32O4S2/c1-3-21(19-30-25(28)22-11-6-4-7-12-22)24(31-26(29)23-13-8-5-9-14-23)16-15-20(2)27-32-17-10-18-33-27/h4-9,11-14,21,24H,3,10,15-19H2,1-2H3/t21-,24+/m0/s1
InChIKey LLXADNWVILUWJJ-XUZZJYLKSA-N
Molecular Weight 484.669 g/mol
SMILES C1(=C(CC[C@@](OC(=O)c2ccccc2)([C@](COC(=O)c2ccccc2)(CC)[H])[H])C)SCCCS1
SPLASH splash10-0a4i-0900500000-fa6f2ddb1888a45c44f9
Source of Spectrum KC-0-23-28
Wiley ID 824168