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(3R)-3-(1,3-dithian-2-yl)-2,2-dimethyl-3-phenylmethoxy-propanal
SpectraBase Compound ID 78I3LtAJHPP
InChI InChI=1S/C16H22O2S2/c1-16(2,12-17)14(15-19-9-6-10-20-15)18-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3/t14-/m0/s1
InChIKey PLGSUAQYKUEZLS-AWEZNQCLSA-N
Mol Weight 310.47 g/mol
Molecular Formula C16H22O2S2
Exact Mass 310.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJPH5wsjcHw
Name (3R)-3-(1,3-dithian-2-yl)-2,2-dimethyl-3-phenylmethoxy-propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S2
InChI InChI=1S/C16H22O2S2/c1-16(2,12-17)14(15-19-9-6-10-20-15)18-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3/t14-/m0/s1
InChIKey PLGSUAQYKUEZLS-AWEZNQCLSA-N
Molecular Weight 310.470 g/mol
SMILES C1([C@@](C(C=O)(C)C)(OCc2ccccc2)[H])SCCCS1
SPLASH splash10-0006-9000000000-f12a8f0576a820f11668
Source of Spectrum K-127-1307-7
Synonyms (3R)-3-benzoxy-3-(1,3-dithian-2-yl)-2,2-dimethyl-propionaldehyde (3R)-3-(1,3-dithian-2-yl)-2,2-dimethyl-3-phenylmethoxypropanal
Wiley ID 1311381