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3-(octane-1-sulfinyl)propanoic acid
SpectraBase Compound ID 1VzmgvJSTql
InChI InChI=1S/C11H22O3S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XVNOLOWZGLUMGU-UHFFFAOYSA-N
Mol Weight 234.35 g/mol
Molecular Formula C11H22O3S
Exact Mass 234.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vqyJx10ue
Name 3-(octane-1-sulfinyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3S
InChI InChI=1S/C11H22O3S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XVNOLOWZGLUMGU-UHFFFAOYSA-N
Molecular Weight 234.354 g/mol
SMILES OC(CCS(=O)CCCCCCCC)=O
SPLASH splash10-0006-9000000000-e0f46c01f34aa01a4add
Source of Spectrum IY-2-4939-7
Synonyms Propanoic acid, 3-(octylsulfinyl)- 3-Octylsulfinylpropanoic acid
Wiley ID 1657380