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1,3-Dioxolane, 4-[3-(2-ethyl-1,3-dithian-2-yl)-1-methylbutyl]-2,2-dimethyl-, [4S-[4R*(1S*,3R*)]]-
SpectraBase Compound ID LhYF2roaqYw
InChI InChI=1S/C16H30O2S2/c1-6-16(19-8-7-9-20-16)13(3)10-12(2)14-11-17-15(4,5)18-14/h12-14H,6-11H2,1-5H3/t12-,13+,14-/m1/s1
InChIKey SJYVBKQKPCTAAJ-HZSPNIEDSA-N
Mol Weight 318.53 g/mol
Molecular Formula C16H30O2S2
Exact Mass 318.168723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BySaM1NLY1h
Name 1,3-Dioxolane, 4-[3-(2-ethyl-1,3-dithian-2-yl)-1-methylbutyl]-2,2-dimethyl-, [4S-[4R*(1S*,3R*)]]-
CAS Registry Number 68880-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O2S2
InChI InChI=1S/C16H30O2S2/c1-6-16(19-8-7-9-20-16)13(3)10-12(2)14-11-17-15(4,5)18-14/h12-14H,6-11H2,1-5H3/t12-,13+,14-/m1/s1
InChIKey SJYVBKQKPCTAAJ-HZSPNIEDSA-N
Molecular Weight 318.534 g/mol
SMILES C1(SCCCS1)([C@](C[C@]([C@@]1(OC(C)(C)OC1)[H])(C)[H])(C)[H])CC
SPLASH splash10-0002-1902000000-b09f36a280e46304f8c5
Source of Spectrum I-60-333-0
Synonyms (2'S,4'S,4''S)-2-ethyl-2-(4'-(2'',2''-dimethyl-1'',3''-dioxacyclopent-4''-yl)pent-2'-yl)-1,3-dithiane (2'S,4'S,4''S)-2-Ethyl-2-(4'-(2'',2''-dimethyl-1'',3''-dioxacyclopent-4''-yl)pent-2'-yl)-1,3-dithiane (4S)-4-[(1R,3S)-3-(2-ethyl-1,3-dithian-2-yl)-1-methylbutyl]-2,2-dimethyl-1,3-dioxolane 1,3-Dithiane, 1,3-dioxolane deriv.
Wiley ID 112715