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4-[2-((E)-Prop-2-en-1-yl)-1,3-dithian-2-yl]-butyric acid
SpectraBase Compound ID Ep3yOXKuZxJ
InChI InChI=1S/C11H18O2S2/c1-2-6-11(7-3-5-10(12)13)14-8-4-9-15-11/h2H,1,3-9H2,(H,12,13)
InChIKey PWCWYFBREHHKHQ-UHFFFAOYSA-N
Mol Weight 246.38 g/mol
Molecular Formula C11H18O2S2
Exact Mass 246.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlhP0wzhESU
Name 4-[2-((E)-Prop-2-en-1-yl)-1,3-dithian-2-yl]-butyric acid
Alternate Name(s) 4-(2-allyl-1,3-dithian-2-yl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2S2
InChI InChI=1S/C11H18O2S2/c1-2-6-11(7-3-5-10(12)13)14-8-4-9-15-11/h2H,1,3-9H2,(H,12,13)
InChIKey PWCWYFBREHHKHQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 246.383 g/mol
SMILES OC(CCCC1(SCCCS1)CC=C)=O
SPLASH splash10-000i-8950000000-714fd824344330117268
Source of Spectrum APC-345-660-5b
Wiley ID 1769408