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N-CHLOROMETHYLRETROISOSENSINE-CHLORIDE
SpectraBase Compound ID 37C1t0fjOjw
InChI InChI=1S/C19H27ClNO5.ClH/c1-12-8-18(2)9-15(22)25-14-5-7-21(11-20)6-4-13(16(14)21)10-24-17(23)19(12,3)26-18;/h4,12,14,16H,5-11H2,1-3H3;1H/q+1;/p-1/t12-,14-,16-,18-,19+,21+;/m1./s1
InChIKey IOGLRSXCIUYGEE-DDWDJTEXSA-M
Mol Weight 420.33 g/mol
Molecular Formula C19H27Cl2NO5
Exact Mass 419.126628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9FLsBzNnWH
Name N-CHLOROMETHYLRETROISOSENSINE-CHLORIDE
Compound Number 5*CL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27Cl2NO5
InChI InChI=1S/C19H27ClNO5.ClH/c1-12-8-18(2)9-15(22)25-14-5-7-21(11-20)6-4-13(16(14)21)10-24-17(23)19(12,3)26-18;/h4,12,14,16H,5-11H2,1-3H3;1H/q+1;/p-1/t12-,14-,16-,18-,19+,21+;/m1./s1
InChIKey IOGLRSXCIUYGEE-DDWDJTEXSA-M
Literature Reference Author A.L.PEREZ-CASTORENA,A.ARCINIEGAS,R.PEREZ,H.GUTIERREZ,R.A.TOS CANO,J.L.VILLASENOR,
Literature Reference Citation J.NAT.PROD.,62,1039(1999)
Literature Reference DOI 10.1021/np980562k
Molecular Weight 420.333 g/mol
Solvent CDCl3
Source File Reference UWCP8676