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6-(Benzyloxy)-10-[(3-thiohydroxy)propylthio]-2,3-dimethoxydibenzoxepine
SpectraBase Compound ID 5ugZYfT97XK
InChI InChI=1S/C26H26O4S2/c1-27-23-14-19-15-25(32-13-7-12-31)20-10-6-11-21(29-17-18-8-4-3-5-9-18)26(20)30-22(19)16-24(23)28-2/h3-6,8-11,14-16,31H,7,12-13,17H2,1-2H3
InChIKey DCGLMHZMCSCNOD-UHFFFAOYSA-N
Mol Weight 466.61 g/mol
Molecular Formula C26H26O4S2
Exact Mass 466.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S14xOg8U3r
Name 6-(Benzyloxy)-10-[(3-thiohydroxy)propylthio]-2,3-dimethoxydibenzoxepine
Alternate Name(s) 3-(6-Benzyloxy-2,3-dimethoxy-dibenzo[b,f]oxepin-10-ylsulfanyl)-propane-1-thiol 3-{[6-(benzyloxy)-2,3-dimethoxydibenzo[b,d]oxepin-10-yl]sulfanyl}-1-propanethiol 3-{[6-(benzyloxy)-2,3-dimethoxydibenzo[b,d]oxepin-10-yl]sulfanyl}propyl hydrosulfide 3-[(2,3-dimethoxy-10-phenylmethoxy-6-benzo[b][1]benzoxepinyl)thio]-1-propanethiol 3-(2,3-dimethoxy-10-phenylmethoxybenzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol 3-(10-benzyloxy-2,3-dimethoxy-benzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol 3-(2,3-dimethoxy-10-phenylmethoxy-benzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol
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Formula C26H26O4S2
InChI InChI=1S/C26H26O4S2/c1-27-23-14-19-15-25(32-13-7-12-31)20-10-6-11-21(29-17-18-8-4-3-5-9-18)26(20)30-22(19)16-24(23)28-2/h3-6,8-11,14-16,31H,7,12-13,17H2,1-2H3
InChIKey DCGLMHZMCSCNOD-UHFFFAOYSA-N
Molecular Weight 466.610 g/mol
SMILES SCCCSC=1c2c(Oc3c(C1)cc(c(c3)OC)OC)c(OCc1ccccc1)ccc2
SPLASH splash10-05mp-6098600000-b6f604ad529fa44bb1d4
Source of Spectrum J-61-5820-8
Wiley ID 1391956