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Methyl 3-Phenyl-3-(2-phenyl-1,3-dithian-2-yl)propanoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Phenyl-3-(2-phenyl-1,3-dithian-2-yl)propanoate
SpectraBase Compound ID GmHg5TGDSEh
InChI InChI=1S/C20H22O2S2/c1-22-19(21)15-18(16-9-4-2-5-10-16)20(23-13-8-14-24-20)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3
InChIKey PQKPCVRGWDIIFZ-UHFFFAOYSA-N
Mol Weight 358.51 g/mol
Molecular Formula C20H22O2S2
Exact Mass 358.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ao3H7dxr4Zj
Name Methyl 3-Phenyl-3-(2-phenyl-1,3-dithian-2-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O2S2
InChI InChI=1S/C20H22O2S2/c1-22-19(21)15-18(16-9-4-2-5-10-16)20(23-13-8-14-24-20)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3
InChIKey PQKPCVRGWDIIFZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 358.514 g/mol
SMILES C1(C(CC(OC)=O)c2ccccc2)(SCCCS1)c1ccccc1
SPLASH splash10-006t-0912000000-7fcc62c67e104d95321e
Source of Spectrum A1-16-70/SMS19-3j
Wiley ID 1747619