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 Google Search
Mol Weight	228.35 g/mol
Molecular Formula	C12H20O2S
Exact Mass	228.118401 g/mol

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SpectraBase Spectrum ID	BaEgu4C3YMx
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	1517046