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2-(3-Carbobutoxyphenyl)-1,3-dithiane

View entire compound with spectra: 1 MS (GC)

2-(3-Carbobutoxyphenyl)-1,3-dithiane
SpectraBase Compound ID DnbfQ4obmh6
InChI InChI=1S/C15H20O2S2/c1-2-3-8-17-14(16)12-6-4-7-13(11-12)15-18-9-5-10-19-15/h4,6-7,11,15H,2-3,5,8-10H2,1H3
InChIKey LWRIWZFZBJETRB-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 8SXZ9qyKiXG
Name 2-(3-Carbobutoxyphenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S2
InChI InChI=1S/C15H20O2S2/c1-2-3-8-17-14(16)12-6-4-7-13(11-12)15-18-9-5-10-19-15/h4,6-7,11,15H,2-3,5,8-10H2,1H3
InChIKey LWRIWZFZBJETRB-UHFFFAOYSA-N
Molecular Weight 296.443 g/mol
SMILES C1(c2cc(C(=O)OCCCC)ccc2)SCCCS1
SPLASH splash10-00r2-4920000000-9ec0c6e2ce23a4230ad6
Source of Spectrum QB-13-446-0
Synonyms Butyl 3-(1,3-dithian-2-yl)benzoate
Wiley ID 840993