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Ethanethioic acid S-(3,5-dihydroxypentyl) ester

View entire compound with spectra: 3 MS (GC)

Ethanethioic acid S-(3,5-dihydroxypentyl) ester
SpectraBase Compound ID aJ99cMomVw
InChI InChI=1S/C7H14O3S/c1-6(9)11-5-3-7(10)2-4-8/h7-8,10H,2-5H2,1H3
InChIKey MZCPZVFEQOLZAA-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C7H14O3S
Exact Mass 178.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjqStP5rZfF
Name Ethanethioic acid S-(3,5-dihydroxypentyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O3S
InChI InChI=1S/C7H14O3S/c1-6(9)11-5-3-7(10)2-4-8/h7-8,10H,2-5H2,1H3
InChIKey MZCPZVFEQOLZAA-UHFFFAOYSA-N
Molecular Weight 178.246 g/mol
SMILES OCCC(CCSC(=O)C)O
SPLASH splash10-0006-9100000000-a88cdbaeadda68011a9e
Synonyms S-(3,5-Dihydroxypentyl) ethanethioate Thioacetic acid, S-(3,5-dihydroxypentyl) ester S-[3,5-bis(oxidanyl)pentyl] ethanethioate
Wiley ID 1489017