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2-(1-Adamantylthio)nicotinamide
SpectraBase Compound ID H4sU4ONYHC6
InChI InChI=1S/C16H20N2OS/c17-14(19)13-2-1-3-18-15(13)20-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H2,17,19)
InChIKey XKAQDUPVXCLLMT-UHFFFAOYSA-N
Mol Weight 288.41 g/mol
Molecular Formula C16H20N2OS
Exact Mass 288.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wSVxWGLzJR
Name 2-(1-Adamantylthio)nicotinamide
Alternate Name(s) 2-(1-adamantylthio)-3-pyridinecarboxamide
CAS Registry Number 101392-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2OS
InChI InChI=1S/C16H20N2OS/c17-14(19)13-2-1-3-18-15(13)20-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H2,17,19)
InChIKey XKAQDUPVXCLLMT-UHFFFAOYSA-N
Molecular Weight 288.409 g/mol
SMILES NC(c1c(SC23CC4CC(C3)CC(C2)C4)nccc1)=O
SPLASH splash10-0019-9320000000-991c383b21ece40b5937
Source of Spectrum Y-22-774-2
Wiley ID 1291717