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

*Links on SpectraBase are not permalinks.
2-(1-Adamantylthio)pyrimidine-4(3H)-one
SpectraBase Compound ID LMNhhZtDur2
InChI InChI=1S/C14H18N2OS/c17-12-1-2-15-13(16-12)18-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16,17)/t9-,10+,11-,14-
InChIKey FZSSMEOTWRPVSY-UAMPICCDSA-N
Mol Weight 262.37 g/mol
Molecular Formula C14H18N2OS
Exact Mass 262.113984 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 C9uwOdzoDlJ
Name 2-(1-Adamantylthio)pyrimidine-4(3H)-one
Alternate Name(s) 2-(1-adamantylsulfanyl)-1H-pyrimidin-6-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2OS
InChI InChI=1S/C14H18N2OS/c17-12-1-2-15-13(16-12)18-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16,17)/t9-,10+,11-,14-
InChIKey FZSSMEOTWRPVSY-UAMPICCDSA-N
Molecular Weight 262.371 g/mol
SMILES N1C(C=CN=C1SC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-03dr-0690000000-cbde345f9a4797a413a5
Source of Spectrum F2-46-741-5e
Wiley ID 1690029