For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Pyridinol, 1-acetyl-4-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-bis(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, acetate (ester), (2.alpha.,3.beta.,6.alpha.)-
SpectraBase Compound ID LU89C7ONAnV
InChI InChI=1S/C33H49NO3S2/c1-19(35)34-28(38-32-13-21-6-22(14-32)8-23(7-21)15-32)12-27(31(3,4)5)29(37-20(2)36)30(34)39-33-16-24-9-25(17-33)11-26(10-24)18-33/h12,21-26,28-30H,6-11,13-18H2,1-5H3
InChIKey VPSGMYJVFDERJU-UHFFFAOYSA-N
Mol Weight 571.9 g/mol
Molecular Formula C33H49NO3S2
Exact Mass 571.315387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DmUMsYSMSX
Name 3-Pyridinol, 1-acetyl-4-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-bis(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, acetate (ester), (2.alpha.,3.beta.,6.alpha.)-
CAS Registry Number 61154-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H49NO3S2
InChI InChI=1S/C33H49NO3S2/c1-19(35)34-28(38-32-13-21-6-22(14-32)8-23(7-21)15-32)12-27(31(3,4)5)29(37-20(2)36)30(34)39-33-16-24-9-25(17-33)11-26(10-24)18-33/h12,21-26,28-30H,6-11,13-18H2,1-5H3
InChIKey VPSGMYJVFDERJU-UHFFFAOYSA-N
Molecular Weight 571.879 g/mol
SMILES C1(N(C(C=C(C1OC(=O)C)C(C)(C)C)SC12CC3CC(C2)CC(C1)C3)C(=O)C)SC12CC3CC(C2)CC(C1)C3
SPLASH splash10-000i-0902000000-0c61335ecf2839828113
Source of Spectrum Y-13-866-0
Synonyms 1-Acetyl-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-1,2,3,6-tetrahydro-3-pyridinyl acetate 1-Acetyl-2,6-bis(1-adamantylthio)-3-acetoxy-4-t-butyl-1,2,3,6-tetrahydropyridine Acetic acid[1-acetyl-2,6-bis(1-adamantylthio)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl]ester [1-acetyl-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl]acetate [2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-1-ethanoyl-3,6-dihydro-2H-pyridin-3-yl]ethanoate [1-acetyl-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl] acetate [2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-1-ethanoyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate
Wiley ID 1407789