John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Hs9pVdb8peQ SpectraBase Spectrum ID=28vtxXRf0yz

(accessed ).
CIS-[U-(13)C(5)]-4-CHLORO-3-METHYL-2-BUTENENITRILE
SpectraBase Compound ID Hs9pVdb8peQ
InChI InChI=1S/C5H6ClN/c1-5(4-6)2-3-7/h2H,4H2,1H3/b5-2+/i1+1,2+1,3+1,4+1,5+1
InChIKey BSJPXSSFMNEOQV-FPYIMRSNSA-N
Mol Weight 120.52 g/mol
Molecular Formula 13C5H6ClN
Exact Mass 120.035651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28vtxXRf0yz
Name CIS-[U-(13)C(5)]-4-CHLORO-3-METHYL-2-BUTENENITRILE
Compound Number 12
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula 13C5H6ClN
InChI InChI=1S/C5H6ClN/c1-5(4-6)2-3-7/h2H,4H2,1H3/b5-2+/i1+1,2+1,3+1,4+1,5+1
InChIKey BSJPXSSFMNEOQV-FPYIMRSNSA-N
Literature Reference Author A.F.L.CREEMERS,J.LUGTENBURG
Literature Reference Citation J.AM.CHEM.SOC.,124,6324(2002)
Literature Reference DOI 10.1021/ja012368h
Molecular Weight 120.524 g/mol
Sample ID 50439
Solvent CDCl3
SpectraBase Batch ID AkBjBBL9U0g