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3-Cyano -1-adamantyl p-toluenesulfnaate
SpectraBase Compound ID fHcFWJJaHi
InChI InChI=1S/C18H21NO3S/c1-13-2-4-16(5-3-13)23(20,21)22-18-9-14-6-15(10-18)8-17(7-14,11-18)12-19/h2-5,14-15H,6-11H2,1H3
InChIKey SLKUTHANNTZNRC-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sVrIDrzNU1
Name 3-Cyano -1-adamantyl p-toluenesulfnaate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-13-2-4-16(5-3-13)23(20,21)22-18-9-14-6-15(10-18)8-17(7-14,11-18)12-19/h2-5,14-15H,6-11H2,1H3
InChIKey SLKUTHANNTZNRC-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES C12(OS(c3ccc(cc3)C)(=O)=O)CC3(C#N)CC(C1)CC(C2)C3
SPLASH splash10-0btc-4901000000-818ed5984d317103228a
Source of Spectrum 1-98-1234-0
Synonyms 3-cyano-1-adamantyl 4-methylbenzenesulfonate
Wiley ID 1328663