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3-(2-Phenyl-[1,3]dithian-2-yl)-propionaldehyde
SpectraBase Compound ID LXbdWwvLb4m
InChI InChI=1S/C13H16OS2/c14-9-4-8-13(15-10-5-11-16-13)12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2
InChIKey BWWSGRNFWRSETE-UHFFFAOYSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vFiiQwoIC
Name 3-(2-Phenyl-[1,3]dithian-2-yl)-propionaldehyde
Alternate Name(s) 4-Phenyl-4-(1',3'-dithian-2'-yl)-butyraldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c14-9-4-8-13(15-10-5-11-16-13)12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2
InChIKey BWWSGRNFWRSETE-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES C1(SCCCS1)(c1ccccc1)CCC=O
SPLASH splash10-0079-1910000000-9f266adf6e2edf7e65d5
Source of Spectrum CRT-5-675-6
Wiley ID 1709272