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(1S,3S)-3-Acetoxy-1-(2-methyl-1,3-dithian-2-yl)-4-cyclohexene-1-ol
SpectraBase Compound ID 49gvOF3QmV7
InChI InChI=1S/C13H20O3S2/c1-10(14)16-11-5-3-6-13(15,9-11)12(2)17-7-4-8-18-12/h3,5,11,15H,4,6-9H2,1-2H3/t11-,13+/m1/s1
InChIKey ULXANCLTOIDEMY-YPMHNXCESA-N
Mol Weight 288.42 g/mol
Molecular Formula C13H20O3S2
Exact Mass 288.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoEUpI87Qz3
Name (1S,3S)-3-Acetoxy-1-(2-methyl-1,3-dithian-2-yl)-4-cyclohexene-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S2
InChI InChI=1S/C13H20O3S2/c1-10(14)16-11-5-3-6-13(15,9-11)12(2)17-7-4-8-18-12/h3,5,11,15H,4,6-9H2,1-2H3/t11-,13+/m1/s1
InChIKey ULXANCLTOIDEMY-YPMHNXCESA-N
Literature Reference DOI 10.1002/cber.19801130528
Molecular Weight 288.420 g/mol
SMILES O[C@@]1(C[C@@](C=CC1)(OC(C)=O)[H])C1(SCCCS1)C
SPLASH splash10-001i-0900000000-8398503a67f91e79d62f
Source of Spectrum K-113-1943-24
Synonyms (1S,5S)-5-hydroxy-5-(2-methyl-1,3-dithian-2-yl)cyclohex-2-en-1-yl acetate
Wiley ID 1792736