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REL-(1R,4R,9R)-1-ACETYL-9-(TERT.-BUTYLTHIO)-1,4-DIHYDRO-1,4-ETHANONAPHTHALENE-9-CARBONITRILE
SpectraBase Compound ID 25rBYw8Lrz2
InChI InChI=1S/C19H21NOS/c1-13(21)18-10-9-16(14-7-5-6-8-15(14)18)19(11-18,12-20)22-17(2,3)4/h5-10,16H,11H2,1-4H3/t16-,18-,19+/m0/s1
InChIKey BCMJHRIPSPBPRV-YTQUADARSA-N
Mol Weight 311.44 g/mol
Molecular Formula C19H21NOS
Exact Mass 311.134385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13aDow9eW81
Name REL-(1R,4R,9R)-1-ACETYL-9-(TERT.-BUTYLTHIO)-1,4-DIHYDRO-1,4-ETHANONAPHTHALENE-9-CARBONITRILE
CAS Registry Number 118139-69-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21NOS
InChI InChI=1S/C19H21NOS/c1-13(21)18-10-9-16(14-7-5-6-8-15(14)18)19(11-18,12-20)22-17(2,3)4/h5-10,16H,11H2,1-4H3/t16-,18-,19+/m0/s1
InChIKey BCMJHRIPSPBPRV-YTQUADARSA-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 311.442 g/mol
Solvent CDCl3
Source File Reference UWGB1491