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2-(4'-formylbutylthio)benzonitrile
SpectraBase Compound ID NJQri1qOIC
InChI InChI=1S/C12H13NOS/c13-10-11-6-2-3-7-12(11)15-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2
InChIKey MDMMJPKPMJTFSZ-UHFFFAOYSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lMq0D02hMi
Name 2-(4'-FORMYLBUTYLTHIO)-BENZONITRILE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c13-10-11-6-2-3-7-12(11)15-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2
InChIKey MDMMJPKPMJTFSZ-UHFFFAOYSA-N
Literature Reference Author E.M.CAMPI,W.R.JACKSON,A.E.TRNACEK
Literature Reference Citation AUSTR.J.CHEM.,50,807(1997)
Literature Reference DOI 10.1071/C97057
Molecular Weight 219.301 g/mol
Solvent Unknown
Source File Reference UWCS14858