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1-ACETYL-3-TERT.-BUTYL-THIO-2,6-DIHYDROXY-3,5-DIMETHYL-1,2,3,6-TETRAHYDRO-PYRIDINE;(ROTAMER-#1)
SpectraBase Compound ID 8XoetbEMMSo
InChI InChI=1S/C13H23NO3S/c1-8-7-13(6,18-12(3,4)5)11(17)14(9(2)15)10(8)16/h7,10-11,16-17H,1-6H3
InChIKey FTOIWGOGNMNSBD-UHFFFAOYSA-N
Mol Weight 273.39 g/mol
Molecular Formula C13H23NO3S
Exact Mass 273.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaIUp5U1HKO
Name 1-(3-tert-butylsulfanyl-2,6-dihydroxy-3,5-dimethyl-2,6-dihydropyridin-1-yl)ethanone
CAS Registry Number 68764-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO3S
InChI InChI=1S/C13H23NO3S/c1-8-7-13(6,18-12(3,4)5)11(17)14(9(2)15)10(8)16/h7,10-11,16-17H,1-6H3
InChIKey FTOIWGOGNMNSBD-UHFFFAOYSA-N
Molecular Weight 273.391 g/mol
SMILES OC1C(=CC(C(N1C(=O)C)O)(SC(C)(C)C)C)C
SPLASH splash10-00fr-0900000000-656b697141ec7e186cf5
Source of Spectrum Y-15-790-0
Synonyms 1-[3-(tert-butylthio)-2,6-dihydroxy-3,5-dimethyl-2,6-dihydropyridin-1-yl]ethanone 1-[3-tert-butylsulfanyl-3,5-dimethyl-2,6-bis(oxidanyl)-2,6-dihydropyridin-1-yl]ethanone
Wiley ID 1277097