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VGMCICYQWUZFAC-NTSWFWBYSA-N

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VGMCICYQWUZFAC-NTSWFWBYSA-N
SpectraBase Compound ID CBL572LJ7eW
InChI InChI=1S/C7H12ClNO2/c8-9-4-5-1-2-6(3-5)7(10)11/h5-6,9H,1-4H2,(H,10,11)/t5-,6+/m0/s1
InChIKey VGMCICYQWUZFAC-NTSWFWBYSA-N
Mol Weight 177.63 g/mol
Molecular Formula C7H12ClNO2
Exact Mass 177.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fj0DEYNK5hE
Name VGMCICYQWUZFAC-NTSWFWBYSA-N
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12ClNO2
InChI InChI=1S/C7H12ClNO2/c8-9-4-5-1-2-6(3-5)7(10)11/h5-6,9H,1-4H2,(H,10,11)/t5-,6+/m0/s1
InChIKey VGMCICYQWUZFAC-NTSWFWBYSA-N
Literature Reference Author M.C.BOUCENNA,J.S.DAVIDSON,A.MCKEE,A.L.PORTE,D.C.APPERLEY
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1381(1995)
Literature Reference DOI 10.1039/p29950001381
Molecular Weight 177.631 g/mol
Solvent CDCl3
Source File Reference UWMZ2772