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2-[1'-Oxo-3'-(hydroxycarbonyl)]-5-(12"-hydroxydodecyl)thiophene
SpectraBase Compound ID KaHhjrWe6zO
InChI InChI=1S/C20H32O4S/c21-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-19(25-17)18(22)13-15-20(23)24/h12,14,21H,1-11,13,15-16H2,(H,23,24)
InChIKey ACEAAJMPWWZEAH-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O4S
Exact Mass 368.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IkqFvVTqy
Name 2-[1'-Oxo-3'-(hydroxycarbonyl)]-5-(12"-hydroxydodecyl)thiophene
Alternate Name(s) 2-[1'-Oxo-3'-(hydroxycarbonyl)propyl]-5-(12''-hydroxydodecyl)thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4S
InChI InChI=1S/C20H32O4S/c21-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-19(25-17)18(22)13-15-20(23)24/h12,14,21H,1-11,13,15-16H2,(H,23,24)
InChIKey ACEAAJMPWWZEAH-UHFFFAOYSA-N
Molecular Weight 368.532 g/mol
SMILES OCCCCCCCCCCCCc1sc(C(CCC(=O)O)=O)cc1
SPLASH splash10-00l5-2915000000-c83c23794ea5352fa04d
Source of Spectrum G-55-1551-0
Wiley ID 748167