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3-Acetyl-4-methyl-2-(phenylthio)pentanoic acid tert-butyl ester
SpectraBase Compound ID ERnLgayub9H
InChI InChI=1S/C18H26O3S/c1-12(2)15(13(3)19)16(17(20)21-18(4,5)6)22-14-10-8-7-9-11-14/h7-12,15-16H,1-6H3
InChIKey UWGBWQASCUOMGD-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hvaCRzK8sG
Name 3-Acetyl-4-methyl-2-(phenylthio)pentanoic acid tert-butyl ester
Alternate Name(s) 3-Acetyl-4-methyl-2-(phenylthio)valeric acid tert-butyl ester tert-Butyl 3-acetyl-4-methyl-2-phenylsulfanyl-pentanoate tert-Butyl 3-ethanoyl-4-methyl-2-phenylsulfanyl-pentanoate
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Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-12(2)15(13(3)19)16(17(20)21-18(4,5)6)22-14-10-8-7-9-11-14/h7-12,15-16H,1-6H3
InChIKey UWGBWQASCUOMGD-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(C(=O)C)C(C)C)Sc1ccccc1
SPLASH splash10-03fr-0950000000-b71c6ddef0bcafb81b83
Source of Spectrum F-52-14656-10
Wiley ID 799635