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N-Acetyl-3,4-dihydroxy-5-phenyl-2-(1-adamantylthio)pyridine
SpectraBase Compound ID B25pnlhrQwu
InChI InChI=1S/C23H29NO3S/c1-14(25)24-13-19(18-5-3-2-4-6-18)20(26)21(27)22(24)28-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,13,15-17,20-22,26-27H,7-12H2,1H3
InChIKey ZMCGGYDMPZMCMS-UHFFFAOYSA-N
Mol Weight 399.55 g/mol
Molecular Formula C23H29NO3S
Exact Mass 399.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcpO5sCE4WV
Name N-Acetyl-3,4-dihydroxy-5-phenyl-2-(1-adamantylthio)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO3S
InChI InChI=1S/C23H29NO3S/c1-14(25)24-13-19(18-5-3-2-4-6-18)20(26)21(27)22(24)28-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,13,15-17,20-22,26-27H,7-12H2,1H3
InChIKey ZMCGGYDMPZMCMS-UHFFFAOYSA-N
Molecular Weight 399.549 g/mol
SMILES OC1C(N(C=C(C1O)c1ccccc1)C(=O)C)SC12CC3CC(C2)CC(C1)C3
SPLASH splash10-024u-5930000000-dae1998e9ec3bdd19b0a
Source of Spectrum Y-28-1057-19
Synonyms 1-Acetyl-2-(1-adamantylsulfanyl)-5-phenyl-1,2,3,4-tetrahydro-3,4-pyridinediol N-Acetyl-2-(1'-adamantylthio)-3,4-dihydroxy-5-phenyl-1,2,3,4-tetrahydropyridine N-acetyl-2-(1'-adamantylthio)-3,4-dihydroxy-5-phenyl-1,2,3,4-tetrtahydropyridine
Wiley ID 1369023