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2-[3'-(Hydroxycarbonyl)propyl]-5-(12"-hydroxydodecyl)thiophene
SpectraBase Compound ID C5Dn1uoXq3i
InChI InChI=1S/C20H34O3S/c21-17-10-8-6-4-2-1-3-5-7-9-12-18-15-16-19(24-18)13-11-14-20(22)23/h15-16,21H,1-14,17H2,(H,22,23)
InChIKey XWQFCTBHRHWUOK-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O3S
Exact Mass 354.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NYZCEd4xi2
Name 2-[3'-(Hydroxycarbonyl)propyl]-5-(12"-hydroxydodecyl)thiophene
Alternate Name(s) 2-[3'-(Hydroxycarbonyl)propyl]-5-(12''-hydroxydodecyl)thiophene 4-[5-(12-hydroxydodecyl)-2-thienyl]butanoic acid
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Formula C20H34O3S
InChI InChI=1S/C20H34O3S/c21-17-10-8-6-4-2-1-3-5-7-9-12-18-15-16-19(24-18)13-11-14-20(22)23/h15-16,21H,1-14,17H2,(H,22,23)
InChIKey XWQFCTBHRHWUOK-UHFFFAOYSA-N
Molecular Weight 354.549 g/mol
SMILES OCCCCCCCCCCCCc1sc(CCCC(=O)O)cc1
SPLASH splash10-0089-0922000000-5a6b18801b3234085a05
Source of Spectrum G-55-1552-0
Wiley ID 748166