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5-Oxohexanethioic acid, S-t-butyl ester
SpectraBase Compound ID G9pFILhdQo8
InChI InChI=1S/C10H18O2S/c1-8(11)6-5-7-9(12)13-10(2,3)4/h5-7H2,1-4H3
InChIKey FVZAZMKFTJQYTR-UHFFFAOYSA-N
Mol Weight 202.31 g/mol
Molecular Formula C10H18O2S
Exact Mass 202.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oxaSwdtpcq
Name 5-Oxohexanethioic acid, S-t-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2S
InChI InChI=1S/C10H18O2S/c1-8(11)6-5-7-9(12)13-10(2,3)4/h5-7H2,1-4H3
InChIKey FVZAZMKFTJQYTR-UHFFFAOYSA-N
Molecular Weight 202.312 g/mol
SMILES CC(SC(CCCC(=O)C)=O)(C)C
SPLASH splash10-08g3-9300000000-a73c19fc3288246031c0
Synonyms 5-ketohexanethioic acid S-tert-butyl ester 5-Oxohexanethioic acid S-tert-butyl ester S-tert-butyl 5-oxidanylidenehexanethioate S-tert-butyl 5-oxohexanethioate
Wiley ID 1480613