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(6-(1,3-Dithian-2-yl)benzo[d][1,3]dioxol-5-yl)(3,5-dimethoxyphenyl)methanol
SpectraBase Compound ID DQRF94LsxeX
InChI InChI=1S/C20H22O5S2/c1-22-13-6-12(7-14(8-13)23-2)19(21)15-9-17-18(25-11-24-17)10-16(15)20-26-4-3-5-27-20/h6-10,19-21H,3-5,11H2,1-2H3
InChIKey RWNOXFFGQHIFBG-UHFFFAOYSA-N
Mol Weight 406.51 g/mol
Molecular Formula C20H22O5S2
Exact Mass 406.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyWxwa4OP1j
Name (6-(1,3-Dithian-2-yl)benzo[d][1,3]dioxol-5-yl)(3,5-dimethoxyphenyl)methanol
Appearance White foam
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Exact Mass 406.090866151 u
Formula C20H22O5S2
InChI InChI=1S/C20H22O5S2/c1-22-13-6-12(7-14(8-13)23-2)19(21)15-9-17-18(25-11-24-17)10-16(15)20-26-4-3-5-27-20/h6-10,19-21H,3-5,11H2,1-2H3
InChIKey RWNOXFFGQHIFBG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201903027
Molecular Weight 406.511 g/mol
Reported Formula C20H22O5S2
SMILES OC(C=1C(C2SCCCS2)=CC2=C(OCO2)C1)C1=CC(=CC(=C1)OC)OC
SPLASH splash10-0002-0090100000-b38d60c58da563d54f16
Source of Spectrum QE-25-SM3-4b (DOI: 10.1002/chem.201903027)
Wiley ID 1893917