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(5R)-2-Methyl-3-(2-phenyl-1,3-dithian-2-yl)-5-(prop-1-en-2-yl)cyclohexanone
SpectraBase Compound ID 3Gsh9PEAsIi
InChI InChI=1S/C20H26OS2/c1-14(2)16-12-18(15(3)19(21)13-16)20(22-10-7-11-23-20)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,1,7,10-13H2,2-3H3/t15?,16-,18?/m1/s1
InChIKey UYRYNPUWKCMTRE-UPTPFMHGSA-N
Mol Weight 346.55 g/mol
Molecular Formula C20H26OS2
Exact Mass 346.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oygIqGKUSP
Name (5R)-2-Methyl-3-(2-phenyl-1,3-dithian-2-yl)-5-(prop-1-en-2-yl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26OS2
InChI InChI=1S/C20H26OS2/c1-14(2)16-12-18(15(3)19(21)13-16)20(22-10-7-11-23-20)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,1,7,10-13H2,2-3H3/t15?,16-,18?/m1/s1
InChIKey UYRYNPUWKCMTRE-UPTPFMHGSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 346.547 g/mol
SMILES C1C(C(C(C[C@@]1(C(C)=C)[H])=O)C)C1(SCCCS1)c1ccccc1
SPLASH splash10-0002-0900000000-2cb148c28589b51dc5ca
Source of Spectrum A1-16-70/SMS13-3f
Wiley ID 1747616