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(3S)-3-(4-methoxyphenyl)-5-oxohexanethioic acid S-tert-butyl ester
SpectraBase Compound ID CFNCdXYyGBx
InChI InChI=1S/C17H24O3S/c1-12(18)10-14(11-16(19)21-17(2,3)4)13-6-8-15(20-5)9-7-13/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKey UVZGZIZSBVCBOE-AWEZNQCLSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zpmJeszcA3
Name (3S)-3-(4-methoxyphenyl)-5-oxohexanethioic acid S-tert-butyl ester
Alternate Name(s) (3S)-5-keto-3-(4-methoxyphenyl)hexanethioic acid S-tert-butyl ester S-tert-butyl (3S)-3-(4-methoxyphenyl)-5-oxidanylidene-hexanethioate S-tert-butyl (3S)-3-(4-methoxyphenyl)-5-oxohexanethioate
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Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-12(18)10-14(11-16(19)21-17(2,3)4)13-6-8-15(20-5)9-7-13/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKey UVZGZIZSBVCBOE-AWEZNQCLSA-N
Molecular Weight 308.436 g/mol
SMILES C(C[C@](CC(C)=O)(c1ccc(cc1)OC)[H])(=O)SC(C)(C)C
SPLASH splash10-002f-0901000000-d1a6e979f4ca7be773e3
Source of Spectrum F-68-10055-7
Wiley ID 1574007