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2,2-Dimethylpropionic acid, 5-acetylthio-3-hydroxypentyl ester
SpectraBase Compound ID 1kqL1sDEecg
InChI InChI=1S/C12H22O4S/c1-9(13)17-8-6-10(14)5-7-16-11(15)12(2,3)4/h10,14H,5-8H2,1-4H3
InChIKey LTDROGUFMKUICV-UHFFFAOYSA-N
Mol Weight 262.36 g/mol
Molecular Formula C12H22O4S
Exact Mass 262.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiYMpvs6HkA
Name 2,2-Dimethylpropionic acid, 5-acetylthio-3-hydroxypentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4S
InChI InChI=1S/C12H22O4S/c1-9(13)17-8-6-10(14)5-7-16-11(15)12(2,3)4/h10,14H,5-8H2,1-4H3
InChIKey LTDROGUFMKUICV-UHFFFAOYSA-N
Molecular Weight 262.364 g/mol
SMILES OC(CCOC(C(C)(C)C)=O)CCSC(=O)C
SPLASH splash10-052f-9200000000-eba5ef989fb12ac6cd25
Synonyms (5-acetylsulfanyl-3-hydroxy-pentyl) 2,2-dimethylpropanoate (5-ethanoylsulfanyl-3-oxidanyl-pentyl) 2,2-dimethylpropanoate 5-(Acetylsulfanyl)-3-hydroxypentyl pivalate 2,2-Dimethylpropanoic acid [5-(acetylthio)-3-hydroxypentyl] ester (5-acetylsulfanyl-3-hydroxypentyl) 2,2-dimethylpropanoate
Wiley ID 1480794