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rel-(1R,4R,9R)-9-(tert-butylthio)-2-formyl-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile
SpectraBase Compound ID 7WHN204gcqZ
InChI InChI=1S/C18H19NOS/c1-17(2,3)21-18(11-19)9-15-12(10-20)8-16(18)14-7-5-4-6-13(14)15/h4-8,10,15-16H,9H2,1-3H3/t15-,16+,18-/m0/s1
InChIKey IXTVTLALKHQXHB-JZXOWHBKSA-N
Mol Weight 297.42 g/mol
Molecular Formula C18H19NOS
Exact Mass 297.118735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kqzn5bqhT9M
Name REL-(1R,4R,9R)-9-(TERT.-BUTYLTHIO)-2-FORMYL-1,4-DIHYDRO-1,4-ETHANONAPHTHALENE-9-CARBONITRILE
CAS Registry Number 118043-06-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19NOS
InChI InChI=1S/C18H19NOS/c1-17(2,3)21-18(11-19)9-15-12(10-20)8-16(18)14-7-5-4-6-13(14)15/h4-8,10,15-16H,9H2,1-3H3/t15-,16+,18-/m0/s1
InChIKey IXTVTLALKHQXHB-JZXOWHBKSA-N
Literature Reference Author D.DOEPP,H.R.MEMARIAN,C.KRUEGER,E.RAABE
Literature Reference Citation CHEM.BER.,122,585(1989)
Literature Reference DOI 10.1002/cber.19891220329
Molecular Weight 297.415 g/mol
Solvent CDCl3
Source File Reference UWGB1492