John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HifrqMzdF3t SpectraBase Spectrum ID=7Nxm1XF5cIl

(accessed ).
IKNKUSJFWMPASR-UMYORGJJSA-N
SpectraBase Compound ID HifrqMzdF3t
InChI InChI=1S/C18H17N3.ClHO4/c19-11-12-10-18(12)7-3-8-21-9-6-14-13-4-1-2-5-15(13)20-16(14)17(18)21;2-1(3,4)5/h1-2,4-5,12H,3,6-10H2;(H,2,3,4,5)/t12?,18-;/m1./s1
InChIKey IKNKUSJFWMPASR-UMYORGJJSA-N
Mol Weight 375.81 g/mol
Molecular Formula C18H18ClN3O4
Exact Mass 375.098584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Nxm1XF5cIl
Name IKNKUSJFWMPASR-UMYORGJJSA-N
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18ClN3O4
InChI InChI=1S/C18H17N3.ClHO4/c19-11-12-10-18(12)7-3-8-21-9-6-14-13-4-1-2-5-15(13)20-16(14)17(18)21;2-1(3,4)5/h1-2,4-5,12H,3,6-10H2;(H,2,3,4,5)/t12?,18-;/m1./s1
InChIKey IKNKUSJFWMPASR-UMYORGJJSA-N
Literature Reference Author G.KALAUS,J.GALAMBOS,M.KAJTAR-PEREDY,L.RADICS,L.SZABO,C.SZANT AY
Literature Reference Citation HETEROCYCLES,15,1109(1981)
Literature Reference DOI 10.3987/S-1981-02-1109
Molecular Weight 375.812 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWED11682
SpectraBase Batch ID IFuHETCXceg