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4-Phenyl-4-(1',3'-dithian-2'-yl)-heptanaldehyde

View entire compound with spectra: 1 MS (GC)

4-Phenyl-4-(1',3'-dithian-2'-yl)-heptanaldehyde
SpectraBase Compound ID 2v4uG7b2iDz
InChI InChI=1S/C16H22OS2/c17-12-7-2-1-6-11-16(18-13-8-14-19-16)15-9-4-3-5-10-15/h3-5,9-10,12H,1-2,6-8,11,13-14H2
InChIKey MPGFTNMUHGMYSC-UHFFFAOYSA-N
Mol Weight 294.47 g/mol
Molecular Formula C16H22OS2
Exact Mass 294.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Pc8o0470g7
Name 4-Phenyl-4-(1',3'-dithian-2'-yl)-heptanaldehyde
Alternate Name(s) 6-(2-Phenyl-[1,3]dithian-2-yl)-hexanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS2
InChI InChI=1S/C16H22OS2/c17-12-7-2-1-6-11-16(18-13-8-14-19-16)15-9-4-3-5-10-15/h3-5,9-10,12H,1-2,6-8,11,13-14H2
InChIKey MPGFTNMUHGMYSC-UHFFFAOYSA-N
Molecular Weight 294.471 g/mol
SMILES C1(SCCCS1)(c1ccccc1)CCCCCC=O
SPLASH splash10-0072-1910000000-bfbca75974a2d778e24a
Source of Spectrum CRT-5-675-7
Wiley ID 1709271