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1,3-Dithiane-2-carboxylic acid, 2-[5-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-cyclopenten-1-yl]-, [1S-(1.alpha.,5.beta.)]-
SpectraBase Compound ID I7oQb8HG54y
InChI InChI=1S/C16H24O4S2/c17-15(18)16(21-9-4-10-22-16)13-6-3-5-12(13)11-20-14-7-1-2-8-19-14/h3,6,12-14H,1-2,4-5,7-11H2,(H,17,18)/t12-,13+,14?/m0/s1
InChIKey NOFSMBHPWKVEDH-WLDKUNSKSA-N
Mol Weight 344.48 g/mol
Molecular Formula C16H24O4S2
Exact Mass 344.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0h6WFJLM6J
Name 1,3-Dithiane-2-carboxylic acid, 2-[5-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-cyclopenten-1-yl]-, [1S-(1.alpha.,5.beta.)]-
CAS Registry Number 71425-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4S2
InChI InChI=1S/C16H24O4S2/c17-15(18)16(21-9-4-10-22-16)13-6-3-5-12(13)11-20-14-7-1-2-8-19-14/h3,6,12-14H,1-2,4-5,7-11H2,(H,17,18)/t12-,13+,14?/m0/s1
InChIKey NOFSMBHPWKVEDH-WLDKUNSKSA-N
Molecular Weight 344.484 g/mol
SMILES OC(C1([C@@]2(C=CC[C@]2(COC2OCCCC2)[H])[H])SCCCS1)=O
SPLASH splash10-052r-9400000000-178bde4ab9421d64d41e
Source of Spectrum C-101-3891-0
Synonyms (propanylenedithio-tetrahydropyran-5-yl)methyl-2-cyclopentenylacetic acid 2-{(1R,5R)-5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-2-cyclopenten-1-yl}-1,3-dithiane-2-carboxylic acid
Wiley ID 1337684