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(3S)-3-(1-naphthalenyl)-5-oxohexanethioic acid S-tert-butyl ester
SpectraBase Compound ID 6SfUERjPQOf
InChI InChI=1S/C20H24O2S/c1-14(21)12-16(13-19(22)23-20(2,3)4)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1
InChIKey ITEJKRHASJOJPV-INIZCTEOSA-N
Mol Weight 328.47 g/mol
Molecular Formula C20H24O2S
Exact Mass 328.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rxGsGhMgq8
Name (3S)-3-(1-naphthalenyl)-5-oxohexanethioic acid S-tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O2S
InChI InChI=1S/C20H24O2S/c1-14(21)12-16(13-19(22)23-20(2,3)4)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1
InChIKey ITEJKRHASJOJPV-INIZCTEOSA-N
Molecular Weight 328.470 g/mol
SMILES C(C[C@](CC(C)=O)(c1cccc2ccccc12)[H])(=O)SC(C)(C)C
SPLASH splash10-0f89-0900000000-2c660c0ad98d20b6653a
Source of Spectrum F-68-10056-7
Synonyms (3S)-5-keto-3-(1-naphthyl)hexanethioic acid S-tert-butyl ester S-tert-butyl (3S)-3-naphthalen-1-yl-5-oxidanylidene-hexanethioate S-tert-butyl (3S)-3-naphthalen-1-yl-5-oxohexanethioate
Wiley ID 1574005