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3-[2-(3,7-dimethylocta-2,6-dienyl)-1,3-dithian-2-yl]propanal
SpectraBase Compound ID B1SMM4B1k01
InChI InChI=1S/C17H28OS2/c1-15(2)7-4-8-16(3)9-11-17(10-5-12-18)19-13-6-14-20-17/h7,9,12H,4-6,8,10-11,13-14H2,1-3H3
InChIKey CNDXFEIUKFPZLD-UHFFFAOYSA-N
Mol Weight 312.53 g/mol
Molecular Formula C17H28OS2
Exact Mass 312.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lhpCKNWB4o
Name 3-[2-(3,7-dimethylocta-2,6-dienyl)-1,3-dithian-2-yl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28OS2
InChI InChI=1S/C17H28OS2/c1-15(2)7-4-8-16(3)9-11-17(10-5-12-18)19-13-6-14-20-17/h7,9,12H,4-6,8,10-11,13-14H2,1-3H3
InChIKey CNDXFEIUKFPZLD-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 312.530 g/mol
Reported Formula C17H28OS2
SMILES C(C1(CC=C(CCC=C(C)C)C)SCCCS1)CC=O
SPLASH splash10-004i-0900000000-8d1521fbafa6983ba1ea
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.50 (silica gel, hexane/EtOAc, 4:1)
Wiley ID 1846871