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3-(2-(2-Methylprop-1-enyl)-1,3-dithian-2-yl)propanoic acid
SpectraBase Compound ID 4K3l5NtB43H
InChI InChI=1S/C11H18O2S2/c1-9(2)8-11(5-4-10(12)13)14-6-3-7-15-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey IYCXYFBQMUOZKY-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 2ipQAqvyBk
Name 3-(2-(2-Methylprop-1-enyl)-1,3-dithian-2-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2S2
InChI InChI=1S/C11H18O2S2/c1-9(2)8-11(5-4-10(12)13)14-6-3-7-15-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey IYCXYFBQMUOZKY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701999h
Molecular Weight 246.383 g/mol
SMILES OC(CCC1(SCCCS1)C=C(C)C)=O
SPLASH splash10-01ot-5960000000-a4325c837bbe6ced6efe
Source of Spectrum A1-9-4713/SMS2-8
Synonyms 3-(2-(2-methylprop-1-en-1-yl)-1,3-dithian-2-yl)propanoic acid
Wiley ID 1758691