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3-[(3E,6E)-nona-3,6-dienyl]sulfanylpropanoic acid
SpectraBase Compound ID 9Oi0BI7pI6
InChI InChI=1S/C12H20O2S/c1-2-3-4-5-6-7-8-10-15-11-9-12(13)14/h3-4,6-7H,2,5,8-11H2,1H3,(H,13,14)/b4-3+,7-6+
InChIKey NPLJCVKGDPWCAE-FZWLCVONSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2zZO6n4GYc
Name 3-[(3E,6E)-nona-3,6-dienyl]sulfanylpropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-2-3-4-5-6-7-8-10-15-11-9-12(13)14/h3-4,6-7H,2,5,8-11H2,1H3,(H,13,14)/b4-3+,7-6+
InChIKey NPLJCVKGDPWCAE-FZWLCVONSA-N
Molecular Weight 228.350 g/mol
SMILES OC(CCSCC\C=C\C\C=C\CC)=O
SPLASH splash10-0ar3-9500000000-ebba776407b534f69e91
Source of Spectrum B-55-651-6
Synonyms 3-[[(3E,6E)-nona-3,6-dienyl]thio]propanoic acid 3-[[(3E,6E)-nona-3,6-dienyl]thio]propionic acid
Wiley ID 1517025