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2-(3',4',5'-trimethoxyphenyl)-2-(3''-pyridyl)-1,3-dithiane
SpectraBase Compound ID 3ZfIKHmoqoe
InChI InChI=1S/C18H21NO3S2/c1-20-15-10-14(11-16(21-2)17(15)22-3)18(23-8-5-9-24-18)13-6-4-7-19-12-13/h4,6-7,10-12H,5,8-9H2,1-3H3
InChIKey GOOKXNMNWXRYFM-UHFFFAOYSA-N
Mol Weight 363.49 g/mol
Molecular Formula C18H21NO3S2
Exact Mass 363.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6i5udrywHR
Name 2-(3',4',5'-trimethoxyphenyl)-2-(3''-pyridyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S2
InChI InChI=1S/C18H21NO3S2/c1-20-15-10-14(11-16(21-2)17(15)22-3)18(23-8-5-9-24-18)13-6-4-7-19-12-13/h4,6-7,10-12H,5,8-9H2,1-3H3
InChIKey GOOKXNMNWXRYFM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 363.490 g/mol
SMILES C1(c2cnccc2)(SCCCS1)c1cc(c(c(OC)c1)OC)OC
SPLASH splash10-000i-0192000000-4997a0dcca86abbee7cf
Source of Spectrum A1-16-4730/SMS11-Table2,Entry18
Synonyms 3-(2-(3,4,5-trimethoxyphenyl)-1,3-dithian-2-yl)pyridine
Wiley ID 1751296