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

*Links on SpectraBase are not permalinks.
N-Acetyl-3-acetoxy-6-hydroxy-4-phenyl-2-(1-adamantylthio)pyridine
SpectraBase Compound ID KCoLW7CPKPv
InChI InChI=1S/C25H31NO4S/c1-15(27)26-22(29)11-21(20-6-4-3-5-7-20)23(30-16(2)28)24(26)31-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,22-24,29H,8-10,12-14H2,1-2H3/t17?,18?,19?,22-,23?,24+,25?/m1/s1
InChIKey CDMCLRRISHGGEP-QLCVEJIXSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 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 9BOYdHNX949
Name N-Acetyl-3-acetoxy-6-hydroxy-4-phenyl-2-(1-adamantylthio)pyridine
Alternate Name(s) (2S,6R)-N-Acetyl-2-(1'-adamantylthio)-3-acetoxy-4-phenyl-6-hydroxy-1,2,3,6-tetrahydropyridine (2S,6R)-N-Acetyl-3-acetoxy-6-hydroxy-4-phenyl-2-(1-adamantylthio)pyridine 1-Acetyl-2-(1-adamantylsulfanyl)-6-hydroxy-4-phenyl-1,2,3,6-tetrahydro-3-pyridinyl acetate N-acetyl-2-(1'-adamantylthio)-3-acetoxy-4-phenyl-6-hydroxy-1,2,3,6-tetrahydropyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO4S
InChI InChI=1S/C25H31NO4S/c1-15(27)26-22(29)11-21(20-6-4-3-5-7-20)23(30-16(2)28)24(26)31-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,22-24,29H,8-10,12-14H2,1-2H3/t17?,18?,19?,22-,23?,24+,25?/m1/s1
InChIKey CDMCLRRISHGGEP-QLCVEJIXSA-N
Molecular Weight 441.586 g/mol
SMILES O[C@]1(N([C@](C(OC(=O)C)C(=C1)c1ccccc1)(SC12CC3CC(C2)CC(C1)C3)[H])C(=O)C)[H]
SPLASH splash10-06y9-3940000000-67ee8d7b153e001b4a0e
Source of Spectrum Y-28-1056-23
Wiley ID 1385080