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3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
SpectraBase Compound ID LSvuYAnJ5N
InChI InChI=1S/C21H34O4S2/c1-5-23-19(24-6-2)18(22)15-21(26-13-10-14-27-21)20(3,4)25-16-17-11-8-7-9-12-17/h7-9,11-12,18-19,22H,5-6,10,13-16H2,1-4H3
InChIKey WRBIVNMRZUNBKK-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C21H34O4S2
Exact Mass 414.189852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 539565WoKFy
Name 3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
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Formula C21H34O4S2
InChI InChI=1S/C21H34O4S2/c1-5-23-19(24-6-2)18(22)15-21(26-13-10-14-27-21)20(3,4)25-16-17-11-8-7-9-12-17/h7-9,11-12,18-19,22H,5-6,10,13-16H2,1-4H3
InChIKey WRBIVNMRZUNBKK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 414.619 g/mol
SMILES OC(CC1(SCCCS1)C(OCc1ccccc1)(C)C)C(OCC)OCC
SPLASH splash10-0l0b-4930000000-6e868d05cb6cd7514f06
Source of Spectrum H-95-2118-15e_Bn
Synonyms 3-(2-(2-(benzyloxy)propan-2-yl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-ol
Wiley ID 1784213