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(3S)-3-(2-furanyl)-5-oxohexanethioic acid S-tert-butyl ester
SpectraBase Compound ID 3iSij3VgVdW
InChI InChI=1S/C14H20O3S/c1-10(15)8-11(12-6-5-7-17-12)9-13(16)18-14(2,3)4/h5-7,11H,8-9H2,1-4H3/t11-/m0/s1
InChIKey OFSMOSLKRYDJNF-NSHDSACASA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7okQmpvbuy2
Name (3S)-3-(2-furanyl)-5-oxohexanethioic acid S-tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-10(15)8-11(12-6-5-7-17-12)9-13(16)18-14(2,3)4/h5-7,11H,8-9H2,1-4H3/t11-/m0/s1
InChIKey OFSMOSLKRYDJNF-NSHDSACASA-N
Molecular Weight 268.371 g/mol
SMILES C(C[C@](CC(C)=O)(c1occc1)[H])(=O)SC(C)(C)C
SPLASH splash10-0udi-0900000000-7fa1d7e10712d333e539
Source of Spectrum F-68-10056-7
Synonyms (3S)-3-(2-furyl)-5-keto-hexanethioic acid S-tert-butyl ester S-tert-butyl (3S)-3-(furan-2-yl)-5-oxidanylidene-hexanethioate S-tert-butyl (3S)-3-(furan-2-yl)-5-oxohexanethioate
Wiley ID 1574004