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1,3-Dithiane-2-propanoic acid, .alpha.-3-cyclohexen-1-yl-
SpectraBase Compound ID 1r5nK1k1jdY
InChI InChI=1S/C13H20O2S2/c14-13(15)11(10-5-2-1-3-6-10)9-12-16-7-4-8-17-12/h1-2,10-12H,3-9H2,(H,14,15)
InChIKey GWKSSZKPHWZZKO-UHFFFAOYSA-N
Mol Weight 272.42 g/mol
Molecular Formula C13H20O2S2
Exact Mass 272.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3i7tUoIZMG
Name 1,3-Dithiane-2-propanoic acid, .alpha.-3-cyclohexen-1-yl-
Alternate Name(s) 2-(3'-Cyclohexen-1-yl)-3,3-trimethylenedithiopropanoic acid 2-(3-cyclohexen-1-yl)-3-(1,3-dithian-2-yl)propanoic acid
CAS Registry Number 56063-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S2
InChI InChI=1S/C13H20O2S2/c14-13(15)11(10-5-2-1-3-6-10)9-12-16-7-4-8-17-12/h1-2,10-12H,3-9H2,(H,14,15)
InChIKey GWKSSZKPHWZZKO-UHFFFAOYSA-N
Molecular Weight 272.421 g/mol
SMILES OC(C(CC1SCCCS1)C1CC=CCC1)=O
SPLASH splash10-0536-9100000000-87890ee2268c4b61a580
Source of Spectrum C-97-2230-0
Wiley ID 1275864