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2-Pyridinol, 1-acetyl-4-tert-butyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-, acetate (ester)
SpectraBase Compound ID 1M4jnMDCLoj
InChI InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(27-21(9,10)11)18(22)25-14(2)24/h12,16-18H,1-11H3
InChIKey HVGSPMLKOZDGFJ-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C21H37NO3S2
Exact Mass 415.221486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iW5mNO5CK
Name 2-Pyridinol, 1-acetyl-4-tert-butyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-, acetate (ester)
CAS Registry Number 18794-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37NO3S2
InChI InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(27-21(9,10)11)18(22)25-14(2)24/h12,16-18H,1-11H3
InChIKey HVGSPMLKOZDGFJ-UHFFFAOYSA-N
Molecular Weight 415.651 g/mol
SMILES C(OC1C(SC(C)(C)C)C(C(C)(C)C)=CC(N1C(C)=O)SC(C)(C)C)(C)=O
SPLASH splash10-06fr-2944000000-0237ff741e9d8165cdce
Source of Spectrum Y-13-865-0
Synonyms 1-Acetyl-4-tert-butyl-3,6-bis(tert-butylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate [1-acetyl-4-tert-butyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate [4-tert-butyl-3,6-bis(tert-butylsulfanyl)-1-ethanoyl-3,6-dihydro-2H-pyridin-2-yl] ethanoate
Wiley ID 1375951