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3-(1',3'-dithian-2'-yl)-2-phenylpropanal

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(1',3'-dithian-2'-yl)-2-phenylpropanal
SpectraBase Compound ID D7IV78qD6mV
InChI InChI=1S/C13H16OS2/c14-10-12(11-5-2-1-3-6-11)9-13-15-7-4-8-16-13/h1-3,5-6,10,12-13H,4,7-9H2
InChIKey DHVCUFAXHPJKRW-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 CQ5kj55nqQe
Name 3-(1',3'-dithian-2'-yl)-2-phenylpropanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c14-10-12(11-5-2-1-3-6-11)9-13-15-7-4-8-16-13/h1-3,5-6,10,12-13H,4,7-9H2
InChIKey DHVCUFAXHPJKRW-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES C1(SCCCS1)CC(c1ccccc1)C=O
SPLASH splash10-00lr-0900000000-cc1b9b98bf169b77cc41
Source of Spectrum B-46-995-0
Synonyms 3-(1,3-dithian-2-yl)-2-phenylpropanal
Wiley ID 1255291