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Methyl 4-(2-phenyl-1,3-dithian-2-yl)-butanoate

View entire compound with spectra: 1 MS (GC)

Methyl 4-(2-phenyl-1,3-dithian-2-yl)-butanoate
SpectraBase Compound ID 5uyOpTgcwip
InChI InChI=1S/C15H20O2S2/c1-17-14(16)9-5-10-15(18-11-6-12-19-15)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey LKMIZZNFEXATOE-UHFFFAOYSA-N
Mol Weight 296.44 g/mol
Molecular Formula C15H20O2S2
Exact Mass 296.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IHxvEePGVd
Name Methyl 4-(2-phenyl-1,3-dithian-2-yl)-butanoate
Alternate Name(s) Methyl 4-(2-phenyl-1,3-dithian-2-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S2
InChI InChI=1S/C15H20O2S2/c1-17-14(16)9-5-10-15(18-11-6-12-19-15)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey LKMIZZNFEXATOE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 296.443 g/mol
SMILES C(CCCC1(SCCCS1)c1ccccc1)(=O)OC
SPLASH splash10-05bb-2910000000-d8b81a4862d14962514b
Source of Spectrum APC-345-660-4a
Wiley ID 1769405